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Molecule record

N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

C22H26ClN7O2S

488.02 g/mol

Loading structure

Molecular properties

Formula
C22H26ClN7O2S
Molar mass
488.02 g·mol−1
Exact mass
487.1557 Da
13
PubChem CID
3062316

Functional groups

Alcohol
Alkane / alkyl carbon
Amide
Aromatic ring
Aryl halide
Secondary amine
Tertiary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 302962-49-8
  • 354825, BMS
  • 801-607-0
  • BMS Dasatinib
  • BMS-354825
  • BMS354825
  • CHEBI:49375
  • DTXCID2020979
Show all 24 synonyms
  • DTXSID4040979
  • Dasatinib
  • Dasatinib anhydrous
  • JLTN compound
  • L01XE06
  • N-(2-chloro-6-methylphenyl)-2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thiazole-5-carboxamide
  • NSC-759877
  • NSC732517
  • PHYRAGO
  • RefChem:5732
  • Sprycel
  • X78UG0A0RN
  • anh. dasatinib
  • anhydrous dasatinib
  • dasatinib (anh.)
  • dasatinibum

Structure identifiers

Canonical SMILES
Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
Isomeric SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO
InChI
InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
InChIKey
ZBNZXTGUTAYRHI-UHFFFAOYSA-N
PubChem CID
3062316

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record