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

C17H16ClF2N5OS — CID 67123105

IUPACN-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
SMILESN[C@H]1CCCC(F)(F)[C@@H]1NC(=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)/t9-,13+/m0/s1
InChIKeyNZQSJPMVPFYPKC-TVQRCGJNSA-N
MW411.87 g/mol
LogP3.36
Rot. Bonds3

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

N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide (PubChem CID 67123105) has the molecular formula C17H16ClF2N5OS and a molecular weight of 411.87 g/mol. Its IUPAC name is N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
PubChem CID67123105
Molecular FormulaC17H16ClF2N5OS
Molecular Weight411.87 g/mol
Exact Mass411.07
IUPAC NameN-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
SMILESN[C@H]1CCCC(F)(F)[C@@H]1NC(=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)/t9-,13+/m0/s1
InChIKeyNZQSJPMVPFYPKC-TVQRCGJNSA-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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Related Compounds

1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 71679146
3-[2-[(2R)-4-[4-(1H-benzimidazol-2-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridin-2-one
CID 89726463
1-[(2R)-4-[4-(6-chloro-1H-benzimidazol-2-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 89726538
N-(4-Chlorophenyl)-2-[2-(1,3-thiazol-5-yl)-1H-benzimidazol-1-yl]acetamide
CID 612046
N-(4-{[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)acetamide
CID 1117212
1-[3-[7-(4,5,6,7-Tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 44546843
1-[(2S,6R)-4-[4-(6-chloro-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2,6-dimethylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 71678462
1-[(2R)-4-[4-(5,6-difluoro-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 71679476
1-[(2R)-4-[4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 71679478
1-[(2R)-4-[4-(6-chloro-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 71679636
1-[4-[4-(1H-benzimidazol-2-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 89726451
2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-4-[4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]ethanone
CID 89726471

Frequently Asked Questions

What is the IUPAC name of N-[(1R,6S)-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-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide (CID 67123105) is N-[(1R,6S)-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-[(1R,6S)-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-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide is N[C@H]1CCCC(F)(F)[C@@H]1NC(=O)c1nc(-c2cnc3ccccn23)c(Cl)s1.
What is the InChIKey of N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The InChIKey is NZQSJPMVPFYPKC-TVQRCGJNSA-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)/t9-,13+/m0/s1.
What are the key properties of N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
N-[(1R,6S)-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-[(1R,6S)-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 67123105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).