3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid

C14H20N2O3S — CID 103551116

IUPAC3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCc1cnc(C(C)NC(=O)C2CCC(C(=O)O)C2)s1
InChIInChI=1S/C14H20N2O3S/c1-3-11-7-15-13(20-11)8(2)16-12(17)9-4-5-10(6-9)14(18)19/h7-10H,3-6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyLPBTVUZNHQSGFN-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.38
Rot. Bonds5

About 3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid

3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103551116) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103551116
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCc1cnc(C(C)NC(=O)C2CCC(C(=O)O)C2)s1
InChIInChI=1S/C14H20N2O3S/c1-3-11-7-15-13(20-11)8(2)16-12(17)9-4-5-10(6-9)14(18)19/h7-10H,3-6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyLPBTVUZNHQSGFN-UHFFFAOYSA-N
XLogP2.38
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid (CID 103551116) is 3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid is CCc1cnc(C(C)NC(=O)C2CCC(C(=O)O)C2)s1.
What is the InChIKey of 3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is LPBTVUZNHQSGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-11-7-15-13(20-11)8(2)16-12(17)9-4-5-10(6-9)14(18)19/h7-10H,3-6H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103551116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).