2-(4-ethyl-1,3-thiazol-2-yl)-1-phenylethanone

C13H13NOS — CID 63199105

IUPAC2-(4-ethyl-1,3-thiazol-2-yl)-1-phenylethanone
SMILESCCc1csc(CC(=O)c2ccccc2)n1
InChIInChI=1S/C13H13NOS/c1-2-11-9-16-13(14-11)8-12(15)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
InChIKeyVPWGYTAMXOCULE-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.13
Rot. Bonds4

About 2-(4-ethyl-1,3-thiazol-2-yl)-1-phenylethanone

2-(4-ethyl-1,3-thiazol-2-yl)-1-phenylethanone (PubChem CID 63199105) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-(4-ethyl-1,3-thiazol-2-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(4-ethyl-1,3-thiazol-2-yl)-1-phenylethanone
PubChem CID63199105
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name2-(4-ethyl-1,3-thiazol-2-yl)-1-phenylethanone
SMILESCCc1csc(CC(=O)c2ccccc2)n1
InChIInChI=1S/C13H13NOS/c1-2-11-9-16-13(14-11)8-12(15)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
InChIKeyVPWGYTAMXOCULE-UHFFFAOYSA-N
XLogP3.13
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethyl-1,3-thiazol-2-yl)acetamide
CID 116970126
2-[2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 65137284
1-(4-ethyl-1,3-thiazol-2-yl)-3-methylbutan-2-one
CID 63199048
2-(4-ethyl-1,3-thiazol-2-yl)-N-methylacetamide
CID 131039339
3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid
CID 39237748
ethyl 2-[2-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1,3-thiazol-4-yl]acetate
CID 147288779
2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 116633076
2-[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone
CID 62756542
1-phenyl-2-(1,3-thiazol-2-yl)ethanone;hydrobromide
CID 173018716
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide
CID 174879579
2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-4-ylethanone
CID 112731545
(2-ethyl-1,3-thiazol-4-yl)methyl 4-oxo-4-(4-phenylphenyl)butanoate
CID 55541281

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1,3-thiazol-2-yl)-1-phenylethanone?
The IUPAC name of 2-(4-ethyl-1,3-thiazol-2-yl)-1-phenylethanone (CID 63199105) is 2-(4-ethyl-1,3-thiazol-2-yl)-1-phenylethanone.
What is the SMILES notation for 2-(4-ethyl-1,3-thiazol-2-yl)-1-phenylethanone?
The canonical SMILES for 2-(4-ethyl-1,3-thiazol-2-yl)-1-phenylethanone is CCc1csc(CC(=O)c2ccccc2)n1.
What is the InChIKey of 2-(4-ethyl-1,3-thiazol-2-yl)-1-phenylethanone?
The InChIKey is VPWGYTAMXOCULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-2-11-9-16-13(14-11)8-12(15)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3.
What are the key properties of 2-(4-ethyl-1,3-thiazol-2-yl)-1-phenylethanone?
2-(4-ethyl-1,3-thiazol-2-yl)-1-phenylethanone has a molecular weight of 231.32 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1,3-thiazol-2-yl)-1-phenylethanone is sourced from PubChem (CID 63199105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).