N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,2,4-triazol-4-yl)cyclohexyl]oxamide;hydrochloride

C23H27Cl2N9O3S — CID 69012003

IUPACN'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,2,4-triazol-4-yl)cyclohexyl]oxamide;hydrochloride
SMILESCN1CCc2nc(C(=O)N[C@@H]3C[C@@H](n4cnnc4)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1.Cl
InChIInChI=1S/C23H26ClN9O3S.ClH/c1-32-7-6-16-18(10-32)37-23(30-16)22(36)29-17-8-14(33-11-26-27-12-33)3-4-15(17)28-20(34)21(35)31-19-5-2-13(24)9-25-19;/h2,5,9,11-12,14-15,17H,3-4,6-8,10H2,1H3,(H,28,34)(H,29,36)(H,25,31,35);1H/t14-,15-,17+;/m0./s1
InChIKeyRCAWYTOTLXXMER-NOYXXFKXSA-N
MW580.50 g/mol
LogP1.84
Rot. Bonds5

About N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,2,4-triazol-4-yl)cyclohexyl]oxamide;hydrochloride

N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,2,4-triazol-4-yl)cyclohexyl]oxamide;hydrochloride (PubChem CID 69012003) has the molecular formula C23H27Cl2N9O3S and a molecular weight of 580.50 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,2,4-triazol-4-yl)cyclohexyl]oxamide;hydrochloride.

Molecular Properties

Compound NameN'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,2,4-triazol-4-yl)cyclohexyl]oxamide;hydrochloride
PubChem CID69012003
Molecular FormulaC23H27Cl2N9O3S
Molecular Weight580.50 g/mol
Exact Mass579.13
IUPAC NameN'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,2,4-triazol-4-yl)cyclohexyl]oxamide;hydrochloride
SMILESCN1CCc2nc(C(=O)N[C@@H]3C[C@@H](n4cnnc4)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1.Cl
InChIInChI=1S/C23H26ClN9O3S.ClH/c1-32-7-6-16-18(10-32)37-23(30-16)22(36)29-17-8-14(33-11-26-27-12-33)3-4-15(17)28-20(34)21(35)31-19-5-2-13(24)9-25-19;/h2,5,9,11-12,14-15,17H,3-4,6-8,10H2,1H3,(H,28,34)(H,29,36)(H,25,31,35);1H/t14-,15-,17+;/m0./s1
InChIKeyRCAWYTOTLXXMER-NOYXXFKXSA-N
XLogP1.84
TPSA147.03 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.50
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,2,4-triazol-4-yl)cyclohexyl]oxamide;hydrochloride with MolForge

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Related Compounds

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
N-[(6S)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 58046378
5-chloro-2-[2-(3,4-dihydro-1H-pyrimido[1,6-a]benzimidazol-2-yl)ethyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 129052904
N'-(5-chloro-2-pyridinyl)-N-[3-[(3R)-3-fluoropyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide
CID 58893656
N'-(5-chloro-2-pyridinyl)-N-[3-(4-fluorophenyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide
CID 58893822
N'-(5-chloro-2-pyridinyl)-N-[3-(3-fluorophenyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide
CID 58893930
N'-(5-chloro-2-pyridinyl)-N-[3-(2-fluorophenyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]propyl]oxamide
CID 58894017
N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 76672187
N'-(5-chloro-2-pyridinyl)-N-[3-(3-fluoropyridin-1-ium-1-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide
CID 91801428
N'-(5-chloro-2-pyridinyl)-N-[3-(3-fluoropyrrolidin-1-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide
CID 10075900
N'-(5-chloro-2-pyridinyl)-N-[3-(3-fluoro-2H-pyridin-1-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide
CID 69483442
N'-(5-chloro-2-pyridinyl)-N-[3-(5-fluoro-2H-pyridin-1-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide
CID 69483444

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,2,4-triazol-4-yl)cyclohexyl]oxamide;hydrochloride?
The IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,2,4-triazol-4-yl)cyclohexyl]oxamide;hydrochloride (CID 69012003) is N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,2,4-triazol-4-yl)cyclohexyl]oxamide;hydrochloride.
What is the SMILES notation for N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,2,4-triazol-4-yl)cyclohexyl]oxamide;hydrochloride?
The canonical SMILES for N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,2,4-triazol-4-yl)cyclohexyl]oxamide;hydrochloride is CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](n4cnnc4)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1.Cl.
What is the InChIKey of N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,2,4-triazol-4-yl)cyclohexyl]oxamide;hydrochloride?
The InChIKey is RCAWYTOTLXXMER-NOYXXFKXSA-N. The full InChI is InChI=1S/C23H26ClN9O3S.ClH/c1-32-7-6-16-18(10-32)37-23(30-16)22(36)29-17-8-14(33-11-26-27-12-33)3-4-15(17)28-20(34)21(35)31-19-5-2-13(24)9-25-19;/h2,5,9,11-12,14-15,17H,3-4,6-8,10H2,1H3,(H,28,34)(H,29,36)(H,25,31,35);1H/t14-,15-,17+;/m0./s1.
What are the key properties of N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,2,4-triazol-4-yl)cyclohexyl]oxamide;hydrochloride?
N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,2,4-triazol-4-yl)cyclohexyl]oxamide;hydrochloride has a molecular weight of 580.50 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(1,2,4-triazol-4-yl)cyclohexyl]oxamide;hydrochloride is sourced from PubChem (CID 69012003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).