N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide

C17H16ClF2N5OS — CID 76672187

IUPACN-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
SMILESNC1CCCC(F)(F)C1NC(=O)c1nc(-c2cnc3ccccn23)c(Cl)s1
InChIInChI=1S/C17H16ClF2N5OS/c18-14-12(10-8-22-11-5-1-2-7-25(10)11)23-16(27-14)15(26)24-13-9(21)4-3-6-17(13,19)20/h1-2,5,7-9,13H,3-4,6,21H2,(H,24,26)
InChIKeyNZQSJPMVPFYPKC-UHFFFAOYSA-N
MW411.87 g/mol
LogP3.36
Rot. Bonds3

About N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide

N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide (PubChem CID 76672187) has the molecular formula C17H16ClF2N5OS and a molecular weight of 411.87 g/mol. Its IUPAC name is N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
PubChem CID76672187
Molecular FormulaC17H16ClF2N5OS
Molecular Weight411.87 g/mol
Exact Mass411.07
IUPAC NameN-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
SMILESNC1CCCC(F)(F)C1NC(=O)c1nc(-c2cnc3ccccn23)c(Cl)s1
InChIInChI=1S/C17H16ClF2N5OS/c18-14-12(10-8-22-11-5-1-2-7-25(10)11)23-16(27-14)15(26)24-13-9(21)4-3-6-17(13,19)20/h1-2,5,7-9,13H,3-4,6,21H2,(H,24,26)
InChIKeyNZQSJPMVPFYPKC-UHFFFAOYSA-N
XLogP3.36
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide (CID 76672187) is N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide is NC1CCCC(F)(F)C1NC(=O)c1nc(-c2cnc3ccccn23)c(Cl)s1.
What is the InChIKey of N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The InChIKey is NZQSJPMVPFYPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2N5OS/c18-14-12(10-8-22-11-5-1-2-7-25(10)11)23-16(27-14)15(26)24-13-9(21)4-3-6-17(13,19)20/h1-2,5,7-9,13H,3-4,6,21H2,(H,24,26).
What are the key properties of N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide has a molecular weight of 411.87 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 76672187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).