3-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylic acid

C12H17N3O3S — CID 63137210

IUPAC3-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(CC(=O)Nc2nccs2)C1
InChIInChI=1S/C12H17N3O3S/c1-12(10(17)18)3-2-5-15(8-12)7-9(16)14-11-13-4-6-19-11/h4,6H,2-3,5,7-8H2,1H3,(H,17,18)(H,13,14,16)
InChIKeyFQSYFFFADTUPBF-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.27
Rot. Bonds4

About 3-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylic acid

3-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylic acid (PubChem CID 63137210) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylic acid
PubChem CID63137210
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name3-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(CC(=O)Nc2nccs2)C1
InChIInChI=1S/C12H17N3O3S/c1-12(10(17)18)3-2-5-15(8-12)7-9(16)14-11-13-4-6-19-11/h4,6H,2-3,5,7-8H2,1H3,(H,17,18)(H,13,14,16)
InChIKeyFQSYFFFADTUPBF-UHFFFAOYSA-N
XLogP1.27
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-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

3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63138087
3-amino-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 107324218
1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 63137212
2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 146131791
1-[2-(2-fluoroanilino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 63136985
1-[2-(2-chloroanilino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 63136943
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 78962803
2-[(3S)-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 104976722
2-[(3R)-3-pyridin-4-ylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 125143187
2-[(2S)-5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,3'-piperidine]-1'-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95796959
N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 171704376
(3R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-phenylpiperidine-3-carboxamide
CID 25490937

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylic acid (CID 63137210) is 3-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(CC(=O)Nc2nccs2)C1.
What is the InChIKey of 3-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylic acid?
The InChIKey is FQSYFFFADTUPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-12(10(17)18)3-2-5-15(8-12)7-9(16)14-11-13-4-6-19-11/h4,6H,2-3,5,7-8H2,1H3,(H,17,18)(H,13,14,16).
What are the key properties of 3-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylic acid?
3-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 63137210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).