2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide

C16H15N5OS — CID 2398938

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
SMILESNc1nc(SCC(=O)Nc2ccccc2-c2ccccc2)n[nH]1
InChIInChI=1S/C16H15N5OS/c17-15-19-16(21-20-15)23-10-14(22)18-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,22)(H3,17,19,20,21)
InChIKeyGKXPFSVIVMEXEK-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.78
Rot. Bonds5

About 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide (PubChem CID 2398938) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
PubChem CID2398938
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
SMILESNc1nc(SCC(=O)Nc2ccccc2-c2ccccc2)n[nH]1
InChIInChI=1S/C16H15N5OS/c17-15-19-16(21-20-15)23-10-14(22)18-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,22)(H3,17,19,20,21)
InChIKeyGKXPFSVIVMEXEK-UHFFFAOYSA-N
XLogP2.78
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide (CID 2398938) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide is Nc1nc(SCC(=O)Nc2ccccc2-c2ccccc2)n[nH]1.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide?
The InChIKey is GKXPFSVIVMEXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c17-15-19-16(21-20-15)23-10-14(22)18-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,22)(H3,17,19,20,21).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide?
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide has a molecular weight of 325.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 2398938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).