N-(2-bicyclo[2.2.1]heptanyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C11H16N4OS — CID 2978005

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)NC1CC2CCC1C2
InChIInChI=1S/C11H16N4OS/c16-10(5-17-11-12-6-13-15-11)14-9-4-7-1-2-8(9)3-7/h6-9H,1-5H2,(H,14,16)(H,12,13,15)
InChIKeyYGXUPRGOZCRIBN-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.20
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-(2-bicyclo[2.2.1]heptanyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 2978005) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID2978005
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)NC1CC2CCC1C2
InChIInChI=1S/C11H16N4OS/c16-10(5-17-11-12-6-13-15-11)14-9-4-7-1-2-8(9)3-7/h6-9H,1-5H2,(H,14,16)(H,12,13,15)
InChIKeyYGXUPRGOZCRIBN-UHFFFAOYSA-N
XLogP1.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-bicyclo[2.2.1]heptanyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)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

2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide
CID 3188532
N-cyclohexyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 709291
N-(2,3-dimethylcyclohexyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 16264419
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 859352
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 859353
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 859354
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 859355
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 1255844
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 6978266
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 7375725
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 7375726
N-[(1R,2R)-2-methylcyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 7784989

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 2978005) is N-(2-bicyclo[2.2.1]heptanyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is O=C(CSc1ncn[nH]1)NC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is YGXUPRGOZCRIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c16-10(5-17-11-12-6-13-15-11)14-9-4-7-1-2-8(9)3-7/h6-9H,1-5H2,(H,14,16)(H,12,13,15).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(2-bicyclo[2.2.1]heptanyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 252.34 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 2978005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).