N-[3-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide

C15H14N4OS — CID 1281288

IUPACN-[3-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide
SMILESCC(=O)Nc1nc(SCc2cccc3ccccc23)n[nH]1
InChIInChI=1S/C15H14N4OS/c1-10(20)16-14-17-15(19-18-14)21-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8H,9H2,1H3,(H2,16,17,18,19,20)
InChIKeyRLINZLNCPQHPID-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.21
Rot. Bonds4

About N-[3-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide

N-[3-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide (PubChem CID 1281288) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[3-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide
PubChem CID1281288
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-[3-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide
SMILESCC(=O)Nc1nc(SCc2cccc3ccccc23)n[nH]1
InChIInChI=1S/C15H14N4OS/c1-10(20)16-14-17-15(19-18-14)21-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8H,9H2,1H3,(H2,16,17,18,19,20)
InChIKeyRLINZLNCPQHPID-UHFFFAOYSA-N
XLogP3.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide
CID 665244
3-(naphthylmethylthio)-1H-1,2,4-triazole-5-ylamine
CID 732057
N-{5-[(2-phenylethyl)sulfanyl]-1H-1,2,4-triazol-3-yl}acetamide
CID 594074
N-{3-[(4-fluorobenzyl)sulfanyl]-1H-1,2,4-triazol-5-yl}acetamide
CID 45032915
N-[5-(benzylsulfanyl)-4H-1,2,4-triazol-3-yl]acetamide
CID 4256591
3-((naphthalen-1-ylmethyl)thio)-5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
CID 135831671
3-(1-naphthalen-1-ylethylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 9835168
5,6-dimethyl-3-((naphthalen-1-ylmethyl)thio)-[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
CID 135732156
N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-2-methylpropanamide
CID 58676302
N-{5-[(2,4-dimethylphenyl)methylthio]-1H-1,2,4-triazol-3-yl}acetamide
CID 1281293
N-[1-acetyl-5-[(2,4-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]acetamide
CID 5078956
2-[[5-[(2E)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7913287

Frequently Asked Questions

What is the IUPAC name of N-[3-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide?
The IUPAC name of N-[3-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide (CID 1281288) is N-[3-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide.
What is the SMILES notation for N-[3-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide?
The canonical SMILES for N-[3-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide is CC(=O)Nc1nc(SCc2cccc3ccccc23)n[nH]1.
What is the InChIKey of N-[3-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide?
The InChIKey is RLINZLNCPQHPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-10(20)16-14-17-15(19-18-14)21-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8H,9H2,1H3,(H2,16,17,18,19,20).
What are the key properties of N-[3-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide?
N-[3-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide has a molecular weight of 298.37 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide is sourced from PubChem (CID 1281288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).