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

C17H16ClF2N5OS — CID 58046378

IUPACN-[(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)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)/t9-,13?/m0/s1
InChIKeyNZQSJPMVPFYPKC-LLTODGECSA-N
MW411.87 g/mol
LogP3.36
Rot. Bonds3

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

N-[(6S)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide (PubChem CID 58046378) has the molecular formula C17H16ClF2N5OS and a molecular weight of 411.87 g/mol. Its IUPAC name is N-[(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-[(6S)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
PubChem CID58046378
Molecular FormulaC17H16ClF2N5OS
Molecular Weight411.87 g/mol
Exact Mass411.07
IUPAC NameN-[(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)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)/t9-,13?/m0/s1
InChIKeyNZQSJPMVPFYPKC-LLTODGECSA-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-[(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-[(6S)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide (CID 58046378) is N-[(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-[(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-[(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)C1NC(=O)c1nc(-c2cnc3ccccn23)c(Cl)s1.
What is the InChIKey of N-[(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-LLTODGECSA-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-[(6S)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
N-[(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-[(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 58046378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).