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

C16H15N5OS2 — CID 4272280

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
SMILESNc1nc(SCC(=O)Nc2ccccc2Sc2ccccc2)n[nH]1
InChIInChI=1S/C16H15N5OS2/c17-15-19-16(21-20-15)23-10-14(22)18-12-8-4-5-9-13(12)24-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,22)(H3,17,19,20,21)
InChIKeyGIZURTDBPJVMDQ-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.27
Rot. Bonds6

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

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 4272280) has the molecular formula C16H15N5OS2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID4272280
Molecular FormulaC16H15N5OS2
Molecular Weight357.46 g/mol
Exact Mass357.07
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
SMILESNc1nc(SCC(=O)Nc2ccccc2Sc2ccccc2)n[nH]1
InChIInChI=1S/C16H15N5OS2/c17-15-19-16(21-20-15)23-10-14(22)18-12-8-4-5-9-13(12)24-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,22)(H3,17,19,20,21)
InChIKeyGIZURTDBPJVMDQ-UHFFFAOYSA-N
XLogP3.27
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 2364876
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide
CID 5102802
N-[2-(Methylsulfanyl)phenyl]-2-({1-[2-(methylsulfanyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamide
CID 1006914
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 2339452
N-(2-phenylsulfanylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2343419
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2343526
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N',N'-diphenylacetohydrazide
CID 2395906
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
CID 2398938
1-Phenothiazin-10-yl-2-(4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone
CID 736364
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 2200722
10-{[(5-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}-10H-phenothiazine
CID 1212264
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2366062

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide (CID 4272280) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide is Nc1nc(SCC(=O)Nc2ccccc2Sc2ccccc2)n[nH]1.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is GIZURTDBPJVMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS2/c17-15-19-16(21-20-15)23-10-14(22)18-12-8-4-5-9-13(12)24-11-6-2-1-3-7-11/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-phenylsulfanylphenyl)acetamide?
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 357.46 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 6 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-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 4272280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).