1-[5-[(4-aminotriazol-2-yl)methyl]-1,3-thiazol-2-yl]ethanone

C8H9N5OS — CID 67365458

IUPAC1-[5-[(4-aminotriazol-2-yl)methyl]-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1ncc(Cn2ncc(N)n2)s1
InChIInChI=1S/C8H9N5OS/c1-5(14)8-10-2-6(15-8)4-13-11-3-7(9)12-13/h2-3H,4H2,1H3,(H2,9,12)
InChIKeyMNSIUYAIUVECGB-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.57
Rot. Bonds3

About 1-[5-[(4-aminotriazol-2-yl)methyl]-1,3-thiazol-2-yl]ethanone

1-[5-[(4-aminotriazol-2-yl)methyl]-1,3-thiazol-2-yl]ethanone (PubChem CID 67365458) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is 1-[5-[(4-aminotriazol-2-yl)methyl]-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(4-aminotriazol-2-yl)methyl]-1,3-thiazol-2-yl]ethanone
PubChem CID67365458
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC Name1-[5-[(4-aminotriazol-2-yl)methyl]-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1ncc(Cn2ncc(N)n2)s1
InChIInChI=1S/C8H9N5OS/c1-5(14)8-10-2-6(15-8)4-13-11-3-7(9)12-13/h2-3H,4H2,1H3,(H2,9,12)
InChIKeyMNSIUYAIUVECGB-UHFFFAOYSA-N
XLogP0.57
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-[(4-aminotriazol-2-yl)methyl]-1,3-thiazol-2-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-aminotriazol-2-yl)methyl]-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[5-[(4-aminotriazol-2-yl)methyl]-1,3-thiazol-2-yl]ethanone (CID 67365458) is 1-[5-[(4-aminotriazol-2-yl)methyl]-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-[(4-aminotriazol-2-yl)methyl]-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[5-[(4-aminotriazol-2-yl)methyl]-1,3-thiazol-2-yl]ethanone is CC(=O)c1ncc(Cn2ncc(N)n2)s1.
What is the InChIKey of 1-[5-[(4-aminotriazol-2-yl)methyl]-1,3-thiazol-2-yl]ethanone?
The InChIKey is MNSIUYAIUVECGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c1-5(14)8-10-2-6(15-8)4-13-11-3-7(9)12-13/h2-3H,4H2,1H3,(H2,9,12).
What are the key properties of 1-[5-[(4-aminotriazol-2-yl)methyl]-1,3-thiazol-2-yl]ethanone?
1-[5-[(4-aminotriazol-2-yl)methyl]-1,3-thiazol-2-yl]ethanone has a molecular weight of 223.26 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-aminotriazol-2-yl)methyl]-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 67365458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).