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

C17H17N5OS — CID 4803459

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)propanamide
SMILESCC(Sc1n[nH]c(N)n1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C17H17N5OS/c1-11(24-17-20-16(18)21-22-17)15(23)19-14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-11H,1H3,(H,19,23)(H3,18,20,21,22)
InChIKeySOEYKZNBVRFIJJ-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.17
Rot. Bonds5

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

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)propanamide (PubChem CID 4803459) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)propanamide
PubChem CID4803459
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)propanamide
SMILESCC(Sc1n[nH]c(N)n1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C17H17N5OS/c1-11(24-17-20-16(18)21-22-17)15(23)19-14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-11H,1H3,(H,19,23)(H3,18,20,21,22)
InChIKeySOEYKZNBVRFIJJ-UHFFFAOYSA-N
XLogP3.17
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Benzylthio)-N-(p-tolyl)-1H-1,2,4-triazol-3-amine
CID 9796214
5-(benzylsulfanyl)-N-(2-methylphenyl)-4H-1,2,4-triazol-3-amine
CID 9900824
5-{[(2-fluorophenyl)methyl]sulfanyl}-N-(2-methylphenyl)-4H-1,2,4-triazol-3-amine
CID 16757239
N-Phenyl-2-(5-phenyl-2H-(1,2,4)triazol-3-ylsulfanyl)-acetamide
CID 684474
5-[(3-methylbut-2-en-1-yl)sulfanyl]-N-(2-methylphenyl)-4H-1,2,4-triazol-3-amine
CID 16757243
N-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-amine
CID 9948612
5-(benzylsulfanyl)-N-(2-phenylphenyl)-4H-1,2,4-triazol-3-amine
CID 16756053
5-{[(2-fluorophenyl)methyl]sulfanyl}-N-(2-phenylphenyl)-4H-1,2,4-triazol-3-amine
CID 16756056
5-[(cyclohexylmethyl)sulfanyl]-N-(2-phenylphenyl)-4H-1,2,4-triazol-3-amine
CID 16756059
N-(2-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-amine
CID 16757237
5-[(cyclohexylmethyl)sulfanyl]-N-(2-methylphenyl)-4H-1,2,4-triazol-3-amine
CID 16757242
5-[(3-methylbut-2-en-1-yl)sulfanyl]-N-(2-phenylphenyl)-4H-1,2,4-triazol-3-amine
CID 16756160

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)propanamide?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)propanamide (CID 4803459) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)propanamide?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)propanamide is CC(Sc1n[nH]c(N)n1)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)propanamide?
The InChIKey is SOEYKZNBVRFIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-11(24-17-20-16(18)21-22-17)15(23)19-14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-11H,1H3,(H,19,23)(H3,18,20,21,22).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)propanamide?
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)propanamide has a molecular weight of 339.42 g/mol, XLogP of 3.17, 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)propanamide is sourced from PubChem (CID 4803459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).