N-[1-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide

C17H11ClN6O2S — CID 74223034

IUPACN-[1-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccn(-c2n[nH]c(-c3cccc(Cl)c3)n2)c(=O)c1)c1cscn1
InChIInChI=1S/C17H11ClN6O2S/c18-11-3-1-2-10(6-11)15-21-17(23-22-15)24-5-4-12(7-14(24)25)20-16(26)13-8-27-9-19-13/h1-9H,(H,20,26)(H,21,22,23)
InChIKeyUAXZWBIBUJABQU-UHFFFAOYSA-N
MW398.84 g/mol
LogP2.98
Rot. Bonds4

About N-[1-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide

N-[1-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 74223034) has the molecular formula C17H11ClN6O2S and a molecular weight of 398.84 g/mol. Its IUPAC name is N-[1-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID74223034
Molecular FormulaC17H11ClN6O2S
Molecular Weight398.84 g/mol
Exact Mass398.04
IUPAC NameN-[1-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccn(-c2n[nH]c(-c3cccc(Cl)c3)n2)c(=O)c1)c1cscn1
InChIInChI=1S/C17H11ClN6O2S/c18-11-3-1-2-10(6-11)15-21-17(23-22-15)24-5-4-12(7-14(24)25)20-16(26)13-8-27-9-19-13/h1-9H,(H,20,26)(H,21,22,23)
InChIKeyUAXZWBIBUJABQU-UHFFFAOYSA-N
XLogP2.98
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.84
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[4-(3-chlorophenyl)-1-methylimidazol-2-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 90149487
N-[4-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 90149414
N-[4-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 90149485
N-[2-[(3-chlorobenzoyl)amino]-1,3-benzothiazol-6-yl]-1,3-thiazole-4-carboxamide
CID 90144262
N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 63047708
N-phenyl-1,3-thiazole-4-carboxamide
CID 62045972
N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147
N-(4-chloro-3-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 64787879
N-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 62045477
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55142680
N-[4-[3-methyl-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 90149338
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62045003

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide (CID 74223034) is N-[1-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccn(-c2n[nH]c(-c3cccc(Cl)c3)n2)c(=O)c1)c1cscn1.
What is the InChIKey of N-[1-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is UAXZWBIBUJABQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN6O2S/c18-11-3-1-2-10(6-11)15-21-17(23-22-15)24-5-4-12(7-14(24)25)20-16(26)13-8-27-9-19-13/h1-9H,(H,20,26)(H,21,22,23).
What are the key properties of N-[1-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide?
N-[1-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 398.84 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-oxo-4-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 74223034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).