3-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid

C12H16N2O3S — CID 103550731

IUPAC3-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCc2nccs2)C1
InChIInChI=1S/C12H16N2O3S/c15-11(8-1-2-9(7-8)12(16)17)14-4-3-10-13-5-6-18-10/h5-6,8-9H,1-4,7H2,(H,14,15)(H,16,17)
InChIKeyCOUVUTMKYLJTNW-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.30
Rot. Bonds5

About 3-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid

3-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103550731) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103550731
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name3-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCc2nccs2)C1
InChIInChI=1S/C12H16N2O3S/c15-11(8-1-2-9(7-8)12(16)17)14-4-3-10-13-5-6-18-10/h5-6,8-9H,1-4,7H2,(H,14,15)(H,16,17)
InChIKeyCOUVUTMKYLJTNW-UHFFFAOYSA-N
XLogP1.30
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid (CID 103550731) is 3-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NCCc2nccs2)C1.
What is the InChIKey of 3-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is COUVUTMKYLJTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-11(8-1-2-9(7-8)12(16)17)14-4-3-10-13-5-6-18-10/h5-6,8-9H,1-4,7H2,(H,14,15)(H,16,17).
What are the key properties of 3-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
3-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).