4-chloro-N-[2-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzamide

C24H18ClFN6OS — CID 155927202

IUPAC4-chloro-N-[2-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzamide
SMILESO=C(NCCNc1nccc(-c2c(-c3cccc(F)c3)nc3sccn23)n1)c1ccc(Cl)cc1
InChIInChI=1S/C24H18ClFN6OS/c25-17-6-4-15(5-7-17)22(33)27-10-11-29-23-28-9-8-19(30-23)21-20(16-2-1-3-18(26)14-16)31-24-32(21)12-13-34-24/h1-9,12-14H,10-11H2,(H,27,33)(H,28,29,30)
InChIKeyMHPULKQGFRPBIS-UHFFFAOYSA-N
MW492.97 g/mol
LogP5.15
Rot. Bonds7

About 4-chloro-N-[2-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzamide

4-chloro-N-[2-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzamide (PubChem CID 155927202) has the molecular formula C24H18ClFN6OS and a molecular weight of 492.97 g/mol. Its IUPAC name is 4-chloro-N-[2-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzamide
PubChem CID155927202
Molecular FormulaC24H18ClFN6OS
Molecular Weight492.97 g/mol
Exact Mass492.09
IUPAC Name4-chloro-N-[2-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzamide
SMILESO=C(NCCNc1nccc(-c2c(-c3cccc(F)c3)nc3sccn23)n1)c1ccc(Cl)cc1
InChIInChI=1S/C24H18ClFN6OS/c25-17-6-4-15(5-7-17)22(33)27-10-11-29-23-28-9-8-19(30-23)21-20(16-2-1-3-18(26)14-16)31-24-32(21)12-13-34-24/h1-9,12-14H,10-11H2,(H,27,33)(H,28,29,30)
InChIKeyMHPULKQGFRPBIS-UHFFFAOYSA-N
XLogP5.15
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.97
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018309
N-(3-(5-(2-(4-(4-ethylpiperazin-1-yl)phenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)-2,6-difluorobenzamide
CID 46886321
N-(6-phenyl-5-imidazo[2,1-b]thiazolyl)benzamide
CID 786409
N-(3-(5-(2-(4-(2-(dimethylamino)ethyl)phenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)-2,6-difluorobenzamide
CID 46865992
N-(4-(4-chloro-2-fluorophenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11582671
(3-Chloro-2-fluorophenyl)(4-((6-(thiazol-2-ylamino)pyridin-2-yl)methyl)piperazin-1-yl)methanone
CID 11676373
3-[1-(3-chloro-4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24955150
3-(difluoromethylsulfanyl)-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 25233238
2-chloro-N-(3-(5-(2-(phenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)benzamide
CID 46886310
N-(3-(5-(2-(phenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)benzamide
CID 46886311
N-(3-(5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)benzamide
CID 46886313
2,6-difluoro-N-(3-(5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)benzamide
CID 46886314

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzamide (CID 155927202) is 4-chloro-N-[2-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzamide is O=C(NCCNc1nccc(-c2c(-c3cccc(F)c3)nc3sccn23)n1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzamide?
The InChIKey is MHPULKQGFRPBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN6OS/c25-17-6-4-15(5-7-17)22(33)27-10-11-29-23-28-9-8-19(30-23)21-20(16-2-1-3-18(26)14-16)31-24-32(21)12-13-34-24/h1-9,12-14H,10-11H2,(H,27,33)(H,28,29,30).
What are the key properties of 4-chloro-N-[2-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzamide?
4-chloro-N-[2-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzamide has a molecular weight of 492.97 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzamide is sourced from PubChem (CID 155927202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).