2-(4-methylimidazol-1-yl)-1-(1,3-thiazol-2-yl)ethanone

C9H9N3OS — CID 18324525

IUPAC2-(4-methylimidazol-1-yl)-1-(1,3-thiazol-2-yl)ethanone
SMILESCc1cn(CC(=O)c2nccs2)cn1
InChIInChI=1S/C9H9N3OS/c1-7-4-12(6-11-7)5-8(13)9-10-2-3-14-9/h2-4,6H,5H2,1H3
InChIKeyPKXQBGPLSAXUTE-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.53
Rot. Bonds3

About 2-(4-methylimidazol-1-yl)-1-(1,3-thiazol-2-yl)ethanone

2-(4-methylimidazol-1-yl)-1-(1,3-thiazol-2-yl)ethanone (PubChem CID 18324525) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-(4-methylimidazol-1-yl)-1-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylimidazol-1-yl)-1-(1,3-thiazol-2-yl)ethanone
PubChem CID18324525
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name2-(4-methylimidazol-1-yl)-1-(1,3-thiazol-2-yl)ethanone
SMILESCc1cn(CC(=O)c2nccs2)cn1
InChIInChI=1S/C9H9N3OS/c1-7-4-12(6-11-7)5-8(13)9-10-2-3-14-9/h2-4,6H,5H2,1H3
InChIKeyPKXQBGPLSAXUTE-UHFFFAOYSA-N
XLogP1.53
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylimidazol-1-yl)-1-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 2-(4-methylimidazol-1-yl)-1-(1,3-thiazol-2-yl)ethanone (CID 18324525) is 2-(4-methylimidazol-1-yl)-1-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 2-(4-methylimidazol-1-yl)-1-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 2-(4-methylimidazol-1-yl)-1-(1,3-thiazol-2-yl)ethanone is Cc1cn(CC(=O)c2nccs2)cn1.
What is the InChIKey of 2-(4-methylimidazol-1-yl)-1-(1,3-thiazol-2-yl)ethanone?
The InChIKey is PKXQBGPLSAXUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-7-4-12(6-11-7)5-8(13)9-10-2-3-14-9/h2-4,6H,5H2,1H3.
What are the key properties of 2-(4-methylimidazol-1-yl)-1-(1,3-thiazol-2-yl)ethanone?
2-(4-methylimidazol-1-yl)-1-(1,3-thiazol-2-yl)ethanone has a molecular weight of 207.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylimidazol-1-yl)-1-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 18324525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).