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

C15H15N5OS — CID 4819306

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
SMILESCC(Sc1n[nH]c(N)n1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C15H15N5OS/c1-9(22-15-18-14(16)19-20-15)13(21)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,17,21)(H3,16,18,19,20)
InChIKeyZMLWJCMBEKBMCV-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.66
Rot. Bonds4

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

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide (PubChem CID 4819306) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
PubChem CID4819306
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
SMILESCC(Sc1n[nH]c(N)n1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C15H15N5OS/c1-9(22-15-18-14(16)19-20-15)13(21)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,17,21)(H3,16,18,19,20)
InChIKeyZMLWJCMBEKBMCV-UHFFFAOYSA-N
XLogP2.66
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-amine
CID 16757237
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide
CID 859344
N-naphthalen-1-yl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2086407
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide
CID 4842920
N-(2-ethylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 718726
2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide
CID 698450
N-1-naphthyl-2-(4H-1,2,4-triazol-3-ylthio)acetamide
CID 684400
N-ethyl-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2360235
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
CID 2398938
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2476553
N-(2,3-dimethylphenyl)-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]acetamide
CID 135436978
N-(3,4-dimethylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 1086719

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide (CID 4819306) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide is CC(Sc1n[nH]c(N)n1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide?
The InChIKey is ZMLWJCMBEKBMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-9(22-15-18-14(16)19-20-15)13(21)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,17,21)(H3,16,18,19,20).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide?
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide has a molecular weight of 313.39 g/mol, XLogP of 2.66, 4 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-naphthalen-1-ylpropanamide is sourced from PubChem (CID 4819306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).