2-[(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid

C10H15N3O2S — CID 80571238

IUPAC2-[(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCN1CCCC(Nc2ncc(C(=O)O)s2)C1
InChIInChI=1S/C10H15N3O2S/c1-13-4-2-3-7(6-13)12-10-11-5-8(16-10)9(14)15/h5,7H,2-4,6H2,1H3,(H,11,12)(H,14,15)
InChIKeyYLRQZRYNKTVLGZ-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.35
Rot. Bonds3

About 2-[(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid

2-[(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 80571238) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID80571238
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name2-[(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCN1CCCC(Nc2ncc(C(=O)O)s2)C1
InChIInChI=1S/C10H15N3O2S/c1-13-4-2-3-7(6-13)12-10-11-5-8(16-10)9(14)15/h5,7H,2-4,6H2,1H3,(H,11,12)(H,14,15)
InChIKeyYLRQZRYNKTVLGZ-UHFFFAOYSA-N
XLogP1.35
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic 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

2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 80572046
methyl 2-[(1-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 80571176
2-[(2,2-dimethylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 80570956
2-(1-cyclohexylethylamino)-1,3-thiazole-5-carboxylic acid
CID 80571367
methyl 2-[(3-ethylcyclohexyl)amino]-1,3-thiazole-5-carboxylate
CID 80572945
methyl 6-[(1-methylpiperidin-3-yl)amino]pyrazine-2-carboxylate
CID 66455915
methyl 2-[(4-ethylcyclohexyl)amino]-1,3-thiazole-5-carboxylate
CID 80570930
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082
[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
2-(cyclopropylamino)-N-methoxy-1,3-thiazole-5-carboxamide
CID 130637977
1,3-dimethyl-5-[(1-methylpiperidin-3-yl)amino]pyrazole-4-carboxylic acid
CID 55242499
2-(3-ethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62752952

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid (CID 80571238) is 2-[(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid is CN1CCCC(Nc2ncc(C(=O)O)s2)C1.
What is the InChIKey of 2-[(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is YLRQZRYNKTVLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-13-4-2-3-7(6-13)12-10-11-5-8(16-10)9(14)15/h5,7H,2-4,6H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 2-[(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid?
2-[(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 241.32 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80571238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).