3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid

C14H20N2O3S — CID 75517072

IUPAC3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid
SMILESCCc1ncc(C(=O)N2CCCC(CCC(=O)O)C2)s1
InChIInChI=1S/C14H20N2O3S/c1-2-12-15-8-11(20-12)14(19)16-7-3-4-10(9-16)5-6-13(17)18/h8,10H,2-7,9H2,1H3,(H,17,18)
InChIKeySCVKGGQYMGOVPK-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.42
Rot. Bonds5

About 3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid

3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid (PubChem CID 75517072) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid
PubChem CID75517072
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid
SMILESCCc1ncc(C(=O)N2CCCC(CCC(=O)O)C2)s1
InChIInChI=1S/C14H20N2O3S/c1-2-12-15-8-11(20-12)14(19)16-7-3-4-10(9-16)5-6-13(17)18/h8,10H,2-7,9H2,1H3,(H,17,18)
InChIKeySCVKGGQYMGOVPK-UHFFFAOYSA-N
XLogP2.42
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid (CID 75517072) is 3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid is CCc1ncc(C(=O)N2CCCC(CCC(=O)O)C2)s1.
What is the InChIKey of 3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid?
The InChIKey is SCVKGGQYMGOVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-2-12-15-8-11(20-12)14(19)16-7-3-4-10(9-16)5-6-13(17)18/h8,10H,2-7,9H2,1H3,(H,17,18).
What are the key properties of 3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid?
3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid has a molecular weight of 296.39 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 75517072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).