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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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).