1-(3-methylcyclopentyl)-2-(1,3-thiazol-5-yl)ethanone

C11H15NOS — CID 112642357

IUPAC1-(3-methylcyclopentyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESCC1CCC(C(=O)Cc2cncs2)C1
InChIInChI=1S/C11H15NOS/c1-8-2-3-9(4-8)11(13)5-10-6-12-7-14-10/h6-9H,2-5H2,1H3
InChIKeyYYAAOYASYMYBDT-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.69
Rot. Bonds3

About 1-(3-methylcyclopentyl)-2-(1,3-thiazol-5-yl)ethanone

1-(3-methylcyclopentyl)-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 112642357) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(3-methylcyclopentyl)-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-methylcyclopentyl)-2-(1,3-thiazol-5-yl)ethanone
PubChem CID112642357
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name1-(3-methylcyclopentyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESCC1CCC(C(=O)Cc2cncs2)C1
InChIInChI=1S/C11H15NOS/c1-8-2-3-9(4-8)11(13)5-10-6-12-7-14-10/h6-9H,2-5H2,1H3
InChIKeyYYAAOYASYMYBDT-UHFFFAOYSA-N
XLogP2.69
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642355
1-(4-ethylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642350
1-pyrrolidin-3-yl-2-(1,3-thiazol-5-yl)ethanone
CID 116568336
1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642454
1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone
CID 107004005
2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanone
CID 65476464
1-(3-methylcyclopentyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642567
1-(2-aminocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 116579911
2-(furan-3-yl)-1-(3-methylcyclopentyl)ethanone
CID 83171833
2-(3-chlorothiophen-2-yl)-1-(3-methylcyclopentyl)ethanone
CID 130534501
cis-(1R,3S)-3-[2-(1,3-thiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 166254916
1-(1-methylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642434

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclopentyl)-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(3-methylcyclopentyl)-2-(1,3-thiazol-5-yl)ethanone (CID 112642357) is 1-(3-methylcyclopentyl)-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-methylcyclopentyl)-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(3-methylcyclopentyl)-2-(1,3-thiazol-5-yl)ethanone is CC1CCC(C(=O)Cc2cncs2)C1.
What is the InChIKey of 1-(3-methylcyclopentyl)-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is YYAAOYASYMYBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-8-2-3-9(4-8)11(13)5-10-6-12-7-14-10/h6-9H,2-5H2,1H3.
What are the key properties of 1-(3-methylcyclopentyl)-2-(1,3-thiazol-5-yl)ethanone?
1-(3-methylcyclopentyl)-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 209.31 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclopentyl)-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 112642357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).