3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-piperidin-1-ylethyl)amino]propanoic acid

C15H25N3O2S — CID 95508684

IUPAC3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-piperidin-1-ylethyl)amino]propanoic acid
SMILESCc1nc(N(CCC(=O)O)CCN2CCCCC2)sc1C
InChIInChI=1S/C15H25N3O2S/c1-12-13(2)21-15(16-12)18(9-6-14(19)20)11-10-17-7-4-3-5-8-17/h3-11H2,1-2H3,(H,19,20)
InChIKeyXTUYWOWTYZACQI-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.53
Rot. Bonds7

About 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-piperidin-1-ylethyl)amino]propanoic acid

3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-piperidin-1-ylethyl)amino]propanoic acid (PubChem CID 95508684) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-piperidin-1-ylethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-piperidin-1-ylethyl)amino]propanoic acid
PubChem CID95508684
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-piperidin-1-ylethyl)amino]propanoic acid
SMILESCc1nc(N(CCC(=O)O)CCN2CCCCC2)sc1C
InChIInChI=1S/C15H25N3O2S/c1-12-13(2)21-15(16-12)18(9-6-14(19)20)11-10-17-7-4-3-5-8-17/h3-11H2,1-2H3,(H,19,20)
InChIKeyXTUYWOWTYZACQI-UHFFFAOYSA-N
XLogP2.53
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-piperidin-1-ylethyl)amino]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

[4-[4-Methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate
CID 174550493
3-[2-Carboxyethyl-(4,5-dimethyl-1,3-thiazol-2-yl)amino]propanoic acid
CID 5116445
Methyl 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetate
CID 71854976
4-Methyl-2-piperidin-1-yl-1,3-thiazole-5-carboxylic acid
CID 28690643
3-[(4,5-Dimethyl-1,3-thiazol-2-yl)-methylamino]propanoic acid
CID 59226703
4-(4,5-Dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid
CID 139988270
3-[2-Carboxylatoethyl-(4,5-dimethyl-1,3-thiazol-2-yl)amino]propanoate
CID 7043166
2-[5-Methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 21700488
2-(4-Ethylpiperazin-1-yl)-4-methylthiazole-5-carboxylic acid
CID 38999860
3-[4-(4-Methyl-1,3-thiazol-2-yl)piperazin-1-yl]propanoic acid
CID 43522291
4-Methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 53211742
2-[(1-Ethylpiperidin-4-yl)-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 55112846

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-piperidin-1-ylethyl)amino]propanoic acid?
The IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-piperidin-1-ylethyl)amino]propanoic acid (CID 95508684) is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-piperidin-1-ylethyl)amino]propanoic acid.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-piperidin-1-ylethyl)amino]propanoic acid?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-piperidin-1-ylethyl)amino]propanoic acid is Cc1nc(N(CCC(=O)O)CCN2CCCCC2)sc1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-piperidin-1-ylethyl)amino]propanoic acid?
The InChIKey is XTUYWOWTYZACQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12-13(2)21-15(16-12)18(9-6-14(19)20)11-10-17-7-4-3-5-8-17/h3-11H2,1-2H3,(H,19,20).
What are the key properties of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-piperidin-1-ylethyl)amino]propanoic acid?
3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-piperidin-1-ylethyl)amino]propanoic acid has a molecular weight of 311.45 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-piperidin-1-ylethyl)amino]propanoic acid is sourced from PubChem (CID 95508684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).