3-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid

C10H11NO3S — CID 70983767

IUPAC3-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)c2nccs2)C1
InChIInChI=1S/C10H11NO3S/c12-8(9-11-3-4-15-9)6-1-2-7(5-6)10(13)14/h3-4,6-7H,1-2,5H2,(H,13,14)
InChIKeyLUSUKKLJDQCAKD-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.83
Rot. Bonds3

About 3-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid

3-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 70983767) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID70983767
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name3-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)c2nccs2)C1
InChIInChI=1S/C10H11NO3S/c12-8(9-11-3-4-15-9)6-1-2-7(5-6)10(13)14/h3-4,6-7H,1-2,5H2,(H,13,14)
InChIKeyLUSUKKLJDQCAKD-UHFFFAOYSA-N
XLogP1.83
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid (CID 70983767) is 3-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)c2nccs2)C1.
What is the InChIKey of 3-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is LUSUKKLJDQCAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c12-8(9-11-3-4-15-9)6-1-2-7(5-6)10(13)14/h3-4,6-7H,1-2,5H2,(H,13,14).
What are the key properties of 3-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid?
3-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 225.27 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 70983767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).