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

C12H17NO2S — CID 65409041

IUPAC2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid
SMILESCCC1CCC(c2nc(CC(=O)O)cs2)C1
InChIInChI=1S/C12H17NO2S/c1-2-8-3-4-9(5-8)12-13-10(7-16-12)6-11(14)15/h7-9H,2-6H2,1H3,(H,14,15)
InChIKeyLOOYUKRCNMXWCB-UHFFFAOYSA-N
MW239.34 g/mol
LogP3.06
Rot. Bonds4

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

2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 65409041) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID65409041
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid
SMILESCCC1CCC(c2nc(CC(=O)O)cs2)C1
InChIInChI=1S/C12H17NO2S/c1-2-8-3-4-9(5-8)12-13-10(7-16-12)6-11(14)15/h7-9H,2-6H2,1H3,(H,14,15)
InChIKeyLOOYUKRCNMXWCB-UHFFFAOYSA-N
XLogP3.06
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetate
CID 80574008
2-(2-cyclopentyl-1,3-thiazol-4-yl)acetic acid
CID 60922034
2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanamine
CID 65403899
1-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanone
CID 65404993
2-amino-2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid
CID 104527298
2-(3-ethylcyclohexyl)-1,3-thiazole-4-carboxylic acid
CID 65401658
2-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 114275580
2-[2-(4-ethylcyclohexyl)-1,3-thiazol-4-yl]acetonitrile
CID 65390540
4-(4-propyl-1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid
CID 116965847
ethyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)acetate
CID 80573343
2-[2-[1-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazol-4-yl]acetic acid
CID 167935062
2-(4-ethyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid
CID 116965810

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid (CID 65409041) is 2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid is CCC1CCC(c2nc(CC(=O)O)cs2)C1.
What is the InChIKey of 2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is LOOYUKRCNMXWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-2-8-3-4-9(5-8)12-13-10(7-16-12)6-11(14)15/h7-9H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 239.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 65409041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).