1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid

C10H12N2O3S — CID 63023722

IUPAC1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2cscn2)C1
InChIInChI=1S/C10H12N2O3S/c13-9(8-5-16-6-11-8)12-3-1-2-7(4-12)10(14)15/h5-7H,1-4H2,(H,14,15)
InChIKeyVETHZHRNNGDDJT-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.08
Rot. Bonds2

About 1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid

1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 63023722) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID63023722
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2cscn2)C1
InChIInChI=1S/C10H12N2O3S/c13-9(8-5-16-6-11-8)12-3-1-2-7(4-12)10(14)15/h5-7H,1-4H2,(H,14,15)
InChIKeyVETHZHRNNGDDJT-UHFFFAOYSA-N
XLogP1.08
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 95828809
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
(3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63049254
(3R)-1-[2-[methyl(1,3-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
CID 129466439
1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 16776959
pyrrolidin-1-yl-[(3R)-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95551648
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(1,3-thiazol-4-yl)methanone
CID 63048030
[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 143704110
methyl 1-(1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate
CID 78925984
(3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 30082310
(3R)-1-(4-chloropyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 81118172
(3R)-1-(2-cyclopropyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 124576560

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid (CID 63023722) is 1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)c2cscn2)C1.
What is the InChIKey of 1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is VETHZHRNNGDDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c13-9(8-5-16-6-11-8)12-3-1-2-7(4-12)10(14)15/h5-7H,1-4H2,(H,14,15).
What are the key properties of 1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid?
1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 240.28 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63023722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).