2-amino-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylbenzamide

C15H14N6OS — CID 44565041

IUPAC2-amino-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylbenzamide
SMILESCn1cnnc1Sc1ccc(N)c(C(=O)Nc2ccccn2)c1
InChIInChI=1S/C15H14N6OS/c1-21-9-18-20-15(21)23-10-5-6-12(16)11(8-10)14(22)19-13-4-2-3-7-17-13/h2-9H,16H2,1H3,(H,17,19,22)
InChIKeyTYXKKHYHRXJCGS-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.20
Rot. Bonds4

About 2-amino-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylbenzamide

2-amino-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylbenzamide (PubChem CID 44565041) has the molecular formula C15H14N6OS and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-amino-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name2-amino-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylbenzamide
PubChem CID44565041
Molecular FormulaC15H14N6OS
Molecular Weight326.39 g/mol
Exact Mass326.09
IUPAC Name2-amino-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylbenzamide
SMILESCn1cnnc1Sc1ccc(N)c(C(=O)Nc2ccccn2)c1
InChIInChI=1S/C15H14N6OS/c1-21-9-18-20-15(21)23-10-5-6-12(16)11(8-10)14(22)19-13-4-2-3-7-17-13/h2-9H,16H2,1H3,(H,17,19,22)
InChIKeyTYXKKHYHRXJCGS-UHFFFAOYSA-N
XLogP2.20
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylbenzamide?
The IUPAC name of 2-amino-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylbenzamide (CID 44565041) is 2-amino-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 2-amino-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 2-amino-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylbenzamide is Cn1cnnc1Sc1ccc(N)c(C(=O)Nc2ccccn2)c1.
What is the InChIKey of 2-amino-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylbenzamide?
The InChIKey is TYXKKHYHRXJCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6OS/c1-21-9-18-20-15(21)23-10-5-6-12(16)11(8-10)14(22)19-13-4-2-3-7-17-13/h2-9H,16H2,1H3,(H,17,19,22).
What are the key properties of 2-amino-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylbenzamide?
2-amino-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylbenzamide has a molecular weight of 326.39 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 44565041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).