2-naphthalen-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide

C14H12N4OS — CID 2359098

IUPAC2-naphthalen-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(CSc1ccc2ccccc2c1)Nn1cnnc1
InChIInChI=1S/C14H12N4OS/c19-14(17-18-9-15-16-10-18)8-20-13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10H,8H2,(H,17,19)
InChIKeyYTBRWANNDBVJEW-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.29
Rot. Bonds4

About 2-naphthalen-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide

2-naphthalen-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide (PubChem CID 2359098) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide
PubChem CID2359098
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name2-naphthalen-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(CSc1ccc2ccccc2c1)Nn1cnnc1
InChIInChI=1S/C14H12N4OS/c19-14(17-18-9-15-16-10-18)8-20-13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10H,8H2,(H,17,19)
InChIKeyYTBRWANNDBVJEW-UHFFFAOYSA-N
XLogP2.29
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of 2-naphthalen-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide (CID 2359098) is 2-naphthalen-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for 2-naphthalen-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for 2-naphthalen-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide is O=C(CSc1ccc2ccccc2c1)Nn1cnnc1.
What is the InChIKey of 2-naphthalen-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is YTBRWANNDBVJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c19-14(17-18-9-15-16-10-18)8-20-13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10H,8H2,(H,17,19).
What are the key properties of 2-naphthalen-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide?
2-naphthalen-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide has a molecular weight of 284.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 2359098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).