3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]propanoic acid

C13H18N2O3S — CID 65199299

IUPAC3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]propanoic acid
SMILESCc1nc(C(=O)N2CCCCC2CCC(=O)O)cs1
InChIInChI=1S/C13H18N2O3S/c1-9-14-11(8-19-9)13(18)15-7-3-2-4-10(15)5-6-12(16)17/h8,10H,2-7H2,1H3,(H,16,17)
InChIKeyBCHRVPOVEICNBB-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.31
Rot. Bonds4

About 3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]propanoic acid

3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]propanoic acid (PubChem CID 65199299) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]propanoic acid
PubChem CID65199299
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]propanoic acid
SMILESCc1nc(C(=O)N2CCCCC2CCC(=O)O)cs1
InChIInChI=1S/C13H18N2O3S/c1-9-14-11(8-19-9)13(18)15-7-3-2-4-10(15)5-6-12(16)17/h8,10H,2-7H2,1H3,(H,16,17)
InChIKeyBCHRVPOVEICNBB-UHFFFAOYSA-N
XLogP2.31
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-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

Related Compounds

3-[1-[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-2-yl]propanoic acid
CID 120536762
1-[1-(2-methyl-1,3-thiazole-4-carbonyl)azepan-2-yl]propan-2-one
CID 79553449
(2-methyl-1,3-thiazol-4-yl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 70724327
3-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]propanoic acid
CID 65214242
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95603369
[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 56820329
3-[(2R)-1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-2-yl]propanoic acid
CID 126450775
3-[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62217813
3-[(2S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-2-yl]propanoic acid
CID 124677189
(2-methyl-1,3-thiazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 65198464
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95328917
3-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
CID 62212389

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]propanoic acid (CID 65199299) is 3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]propanoic acid is Cc1nc(C(=O)N2CCCCC2CCC(=O)O)cs1.
What is the InChIKey of 3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]propanoic acid?
The InChIKey is BCHRVPOVEICNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-9-14-11(8-19-9)13(18)15-7-3-2-4-10(15)5-6-12(16)17/h8,10H,2-7H2,1H3,(H,16,17).
What are the key properties of 3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]propanoic acid?
3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]propanoic acid has a molecular weight of 282.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 65199299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).