1-imidazol-1-yl-2-(1,3-thiazol-2-yl)ethanone

C8H7N3OS — CID 161176012

IUPAC1-imidazol-1-yl-2-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1nccs1)n1ccnc1
InChIInChI=1S/C8H7N3OS/c12-8(11-3-1-9-6-11)5-7-10-2-4-13-7/h1-4,6H,5H2
InChIKeyURUZEVQIRHRCQX-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.22
Rot. Bonds2

About 1-imidazol-1-yl-2-(1,3-thiazol-2-yl)ethanone

1-imidazol-1-yl-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 161176012) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is 1-imidazol-1-yl-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-imidazol-1-yl-2-(1,3-thiazol-2-yl)ethanone
PubChem CID161176012
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name1-imidazol-1-yl-2-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1nccs1)n1ccnc1
InChIInChI=1S/C8H7N3OS/c12-8(11-3-1-9-6-11)5-7-10-2-4-13-7/h1-4,6H,5H2
InChIKeyURUZEVQIRHRCQX-UHFFFAOYSA-N
XLogP1.22
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-imidazol-1-yl-2-(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-imidazol-1-yl-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-imidazol-1-yl-2-(1,3-thiazol-2-yl)ethanone (CID 161176012) is 1-imidazol-1-yl-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-imidazol-1-yl-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-imidazol-1-yl-2-(1,3-thiazol-2-yl)ethanone is O=C(Cc1nccs1)n1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is URUZEVQIRHRCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c12-8(11-3-1-9-6-11)5-7-10-2-4-13-7/h1-4,6H,5H2.
What are the key properties of 1-imidazol-1-yl-2-(1,3-thiazol-2-yl)ethanone?
1-imidazol-1-yl-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 193.23 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 161176012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).