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

C9H9N3OS — CID 18324407

IUPAC2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanone
SMILESCn1cncc1CC(=O)c1nccs1
InChIInChI=1S/C9H9N3OS/c1-12-6-10-5-7(12)4-8(13)9-11-2-3-14-9/h2-3,5-6H,4H2,1H3
InChIKeyDAMKEQYGTASVFG-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.30
Rot. Bonds3

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

2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanone (PubChem CID 18324407) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanone
PubChem CID18324407
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanone
SMILESCn1cncc1CC(=O)c1nccs1
InChIInChI=1S/C9H9N3OS/c1-12-6-10-5-7(12)4-8(13)9-11-2-3-14-9/h2-3,5-6H,4H2,1H3
InChIKeyDAMKEQYGTASVFG-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanone (CID 18324407) is 2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanone is Cn1cncc1CC(=O)c1nccs1.
What is the InChIKey of 2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanone?
The InChIKey is DAMKEQYGTASVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-12-6-10-5-7(12)4-8(13)9-11-2-3-14-9/h2-3,5-6H,4H2,1H3.
What are the key properties of 2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanone?
2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanone has a molecular weight of 207.26 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 18324407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).