3-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid

C11H14N2O3S — CID 103551237

IUPAC3-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCc2cncs2)C1
InChIInChI=1S/C11H14N2O3S/c14-10(13-5-9-4-12-6-17-9)7-1-2-8(3-7)11(15)16/h4,6-8H,1-3,5H2,(H,13,14)(H,15,16)
InChIKeyFVYMYLDZMNAVKQ-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.26
Rot. Bonds4

About 3-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid

3-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 103551237) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID103551237
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name3-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCc2cncs2)C1
InChIInChI=1S/C11H14N2O3S/c14-10(13-5-9-4-12-6-17-9)7-1-2-8(3-7)11(15)16/h4,6-8H,1-3,5H2,(H,13,14)(H,15,16)
InChIKeyFVYMYLDZMNAVKQ-UHFFFAOYSA-N
XLogP1.26
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid (CID 103551237) is 3-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NCc2cncs2)C1.
What is the InChIKey of 3-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is FVYMYLDZMNAVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c14-10(13-5-9-4-12-6-17-9)7-1-2-8(3-7)11(15)16/h4,6-8H,1-3,5H2,(H,13,14)(H,15,16).
What are the key properties of 3-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
3-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103551237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).