2-chloro-5-methylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide

C15H12ClN5OS — CID 47084179

IUPAC2-chloro-5-methylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2cccnc2-n2cncn2)c1
InChIInChI=1S/C15H12ClN5OS/c1-23-10-4-5-12(16)11(7-10)15(22)20-13-3-2-6-18-14(13)21-9-17-8-19-21/h2-9H,1H3,(H,20,22)
InChIKeyQWYUDMMRFOPQSN-UHFFFAOYSA-N
MW345.82 g/mol
LogP3.29
Rot. Bonds4

About 2-chloro-5-methylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide

2-chloro-5-methylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide (PubChem CID 47084179) has the molecular formula C15H12ClN5OS and a molecular weight of 345.82 g/mol. Its IUPAC name is 2-chloro-5-methylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-methylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
PubChem CID47084179
Molecular FormulaC15H12ClN5OS
Molecular Weight345.82 g/mol
Exact Mass345.05
IUPAC Name2-chloro-5-methylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2cccnc2-n2cncn2)c1
InChIInChI=1S/C15H12ClN5OS/c1-23-10-4-5-12(16)11(7-10)15(22)20-13-3-2-6-18-14(13)21-9-17-8-19-21/h2-9H,1H3,(H,20,22)
InChIKeyQWYUDMMRFOPQSN-UHFFFAOYSA-N
XLogP3.29
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.82
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridazine-3-carboxamide
CID 61217247
N-(5-chloro-2-methoxyphenyl)-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 31700856
5-bromo-2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
CID 30887095
4-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 51983091
3,6-dimethyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51097996
2-bromo-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-4-carboxamide
CID 103752649
5-bromo-2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55573291
4-amino-5-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide
CID 61166742
5-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide
CID 51098015
2-chloro-4-fluoro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
CID 30884817
2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 31527228
N-[2-(bromomethyl)phenyl]-2-chloro-5-methylsulfanylbenzamide
CID 114309537

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
The IUPAC name of 2-chloro-5-methylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide (CID 47084179) is 2-chloro-5-methylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-chloro-5-methylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 2-chloro-5-methylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide is CSc1ccc(Cl)c(C(=O)Nc2cccnc2-n2cncn2)c1.
What is the InChIKey of 2-chloro-5-methylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
The InChIKey is QWYUDMMRFOPQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5OS/c1-23-10-4-5-12(16)11(7-10)15(22)20-13-3-2-6-18-14(13)21-9-17-8-19-21/h2-9H,1H3,(H,20,22).
What are the key properties of 2-chloro-5-methylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
2-chloro-5-methylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide has a molecular weight of 345.82 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 47084179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).