1-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanone

C12H17NOS — CID 65404993

IUPAC1-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanone
SMILESCCC1CCC(c2nc(C(C)=O)cs2)C1
InChIInChI=1S/C12H17NOS/c1-3-9-4-5-10(6-9)12-13-11(7-15-12)8(2)14/h7,9-10H,3-6H2,1-2H3
InChIKeyIXHSPGYIEHVKPJ-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.64
Rot. Bonds3

About 1-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanone

1-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 65404993) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanone
PubChem CID65404993
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name1-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanone
SMILESCCC1CCC(c2nc(C(C)=O)cs2)C1
InChIInChI=1S/C12H17NOS/c1-3-9-4-5-10(6-9)12-13-11(7-15-12)8(2)14/h7,9-10H,3-6H2,1-2H3
InChIKeyIXHSPGYIEHVKPJ-UHFFFAOYSA-N
XLogP3.64
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethylcyclohexyl)-1,3-thiazole-4-carboxylic acid
CID 65401658
2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid
CID 65409041
methyl 2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetate
CID 80574008
2-amino-2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid
CID 104527298
2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanamine
CID 65403899
N-(4-acetyl-1,3-thiazol-2-yl)-4-ethylpiperidine-2-carboxamide
CID 114429119
2-cyclopropyl-1,3-thiazole-4-carbohydrazide
CID 131063820
4-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]benzonitrile
CID 65404104
2-(4-ethylcyclohexyl)-1,3-thiazole-4-carbaldehyde
CID 65393287
4-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid
CID 79692524
1-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]ethanamine
CID 65415626
4-(4-acetyl-1,3-thiazol-2-yl)-N-pentylpiperidine-1-carbothioamide
CID 89200256

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanone (CID 65404993) is 1-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanone is CCC1CCC(c2nc(C(C)=O)cs2)C1.
What is the InChIKey of 1-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is IXHSPGYIEHVKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-3-9-4-5-10(6-9)12-13-11(7-15-12)8(2)14/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 1-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanone?
1-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 223.34 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 65404993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).