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

C8H7N3OS — CID 22324984

IUPAC2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cn1ccnc1)c1nccs1
InChIInChI=1S/C8H7N3OS/c12-7(8-10-2-4-13-8)5-11-3-1-9-6-11/h1-4,6H,5H2
InChIKeyISXKAHXYBCSMKR-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.22
Rot. Bonds3

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

2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethanone (PubChem CID 22324984) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethanone
PubChem CID22324984
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cn1ccnc1)c1nccs1
InChIInChI=1S/C8H7N3OS/c12-7(8-10-2-4-13-8)5-11-3-1-9-6-11/h1-4,6H,5H2
InChIKeyISXKAHXYBCSMKR-UHFFFAOYSA-N
XLogP1.22
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
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 2-imidazol-1-yl-1-(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 2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethanone (CID 22324984) is 2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethanone is O=C(Cn1ccnc1)c1nccs1.
What is the InChIKey of 2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethanone?
The InChIKey is ISXKAHXYBCSMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c12-7(8-10-2-4-13-8)5-11-3-1-9-6-11/h1-4,6H,5H2.
What are the key properties of 2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethanone?
2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethanone has a molecular weight of 193.23 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 22324984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).