N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C14H12N4OS — CID 684400

IUPACN-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1cccc2ccccc12
InChIInChI=1S/C14H12N4OS/c19-13(8-20-14-15-9-16-18-14)17-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,9H,8H2,(H,17,19)(H,15,16,18)
InChIKeyQPSYVTLHPVDNGY-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.69
Rot. Bonds4

About N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 684400) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID684400
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC NameN-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1cccc2ccccc12
InChIInChI=1S/C14H12N4OS/c19-13(8-20-14-15-9-16-18-14)17-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,9H,8H2,(H,17,19)(H,15,16,18)
InChIKeyQPSYVTLHPVDNGY-UHFFFAOYSA-N
XLogP2.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-tert-butylphenyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide
CID 2241602
2-(4-Amino-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-cyclohexyl-phenyl)-acetamide
CID 646068
N-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 684398
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
N-(2,3-dihydro-1H-inden-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2479142
1-(3,4-dimethylphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione
CID 2873851
N-(3,4-dimethylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide
CID 3344345

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 684400) is N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is O=C(CSc1ncn[nH]1)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is QPSYVTLHPVDNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c19-13(8-20-14-15-9-16-18-14)17-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,9H,8H2,(H,17,19)(H,15,16,18).
What are the key properties of N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 284.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 684400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).