1-(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethanone

C11H11NOS2 — CID 82430291

IUPAC1-(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethanone
SMILESCCc1nc(-c2cccs2)sc1C(C)=O
InChIInChI=1S/C11H11NOS2/c1-3-8-10(7(2)13)15-11(12-8)9-5-4-6-14-9/h4-6H,3H2,1-2H3
InChIKeyXRHAUHRJHMDXFZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.64
Rot. Bonds3

About 1-(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethanone

1-(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethanone (PubChem CID 82430291) has the molecular formula C11H11NOS2 and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethanone
PubChem CID82430291
Molecular FormulaC11H11NOS2
Molecular Weight237.35 g/mol
Exact Mass237.03
IUPAC Name1-(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethanone
SMILESCCc1nc(-c2cccs2)sc1C(C)=O
InChIInChI=1S/C11H11NOS2/c1-3-8-10(7(2)13)15-11(12-8)9-5-4-6-14-9/h4-6H,3H2,1-2H3
InChIKeyXRHAUHRJHMDXFZ-UHFFFAOYSA-N
XLogP3.64
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide
CID 82430275
1-[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 82428234
(E)-N-[(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-N-methylpent-2-enamide
CID 143241813
1-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]ethanone
CID 82430136
N-(2,6-diethylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 27667865
1-(4-methoxy-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-one
CID 118609248
1-[2-(4-chlorophenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone
CID 10734418
1-(2-thiophen-2-yl-1,3-benzothiazol-6-yl)ethanone
CID 46894467
1-(2-amino-4-ethyl-1,3-thiazol-5-yl)ethanone
CID 13485346
2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82276873
4-methyl-N-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 35505361
1-[4-ethyl-2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428810

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethanone (CID 82430291) is 1-(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethanone is CCc1nc(-c2cccs2)sc1C(C)=O.
What is the InChIKey of 1-(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethanone?
The InChIKey is XRHAUHRJHMDXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS2/c1-3-8-10(7(2)13)15-11(12-8)9-5-4-6-14-9/h4-6H,3H2,1-2H3.
What are the key properties of 1-(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethanone?
1-(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethanone has a molecular weight of 237.35 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 82430291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).