5-[(6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid

C9H11N3O3S — CID 64629285

IUPAC5-[(6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid
SMILESO=C1CCC(Nc2scnc2C(=O)O)CN1
InChIInChI=1S/C9H11N3O3S/c13-6-2-1-5(3-10-6)12-8-7(9(14)15)11-4-16-8/h4-5,12H,1-3H2,(H,10,13)(H,14,15)
InChIKeyTWCUMQKAUXSTMI-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.53
Rot. Bonds3

About 5-[(6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid

5-[(6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 64629285) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 5-[(6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid
PubChem CID64629285
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name5-[(6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid
SMILESO=C1CCC(Nc2scnc2C(=O)O)CN1
InChIInChI=1S/C9H11N3O3S/c13-6-2-1-5(3-10-6)12-8-7(9(14)15)11-4-16-8/h4-5,12H,1-3H2,(H,10,13)(H,14,15)
InChIKeyTWCUMQKAUXSTMI-UHFFFAOYSA-N
XLogP0.53
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[(6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-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

5-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 107853950
(6-oxopiperidin-3-yl)carbamic acid
CID 77299994
4-methyl-2-[(6-oxopiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 80570173
5-[(5-methylpyrimidin-2-yl)amino]piperidin-2-one
CID 63663569
5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 106259399
5-amino-6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid
CID 81439878
2,2,2-trifluoro-N-(6-oxopiperidin-3-yl)acetamide
CID 63374613
3,6-dimethyl-2-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
CID 103429074
5-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 82737354
5-[(3-bromo-4-methyl-2-pyridinyl)amino]piperidin-2-one
CID 106875729
6-[(6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63661979
5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,3-thiazole-4-carboxylic acid
CID 64629094

Frequently Asked Questions

What is the IUPAC name of 5-[(6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid (CID 64629285) is 5-[(6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid is O=C1CCC(Nc2scnc2C(=O)O)CN1.
What is the InChIKey of 5-[(6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is TWCUMQKAUXSTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c13-6-2-1-5(3-10-6)12-8-7(9(14)15)11-4-16-8/h4-5,12H,1-3H2,(H,10,13)(H,14,15).
What are the key properties of 5-[(6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid?
5-[(6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 241.27 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64629285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).