1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid

C14H14N4O3S — CID 126789127

IUPAC1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1csc(-c2ncccn2)n1
InChIInChI=1S/C14H14N4O3S/c19-13(18-7-2-1-4-10(18)14(20)21)9-8-22-12(17-9)11-15-5-3-6-16-11/h3,5-6,8,10H,1-2,4,7H2,(H,20,21)
InChIKeyFCEACXCECVGOEI-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.68
Rot. Bonds3

About 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid

1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid (PubChem CID 126789127) has the molecular formula C14H14N4O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
PubChem CID126789127
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC Name1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1csc(-c2ncccn2)n1
InChIInChI=1S/C14H14N4O3S/c19-13(18-7-2-1-4-10(18)14(20)21)9-8-22-12(17-9)11-15-5-3-6-16-11/h3,5-6,8,10H,1-2,4,7H2,(H,20,21)
InChIKeyFCEACXCECVGOEI-UHFFFAOYSA-N
XLogP1.68
TPSA96.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
CID 120537472
1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 167911729
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 94589806
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 124689404
1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 119175795
(2R)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119370414
1-(pyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64559743
(2S)-1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 66381598
(2S)-1-(2-acetamido-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
CID 66264126
(2S)-1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 62787051
(2S)-1-[2-(4-nitrophenyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119364879
[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 95603823

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid (CID 126789127) is 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)c1csc(-c2ncccn2)n1.
What is the InChIKey of 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is FCEACXCECVGOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S/c19-13(18-7-2-1-4-10(18)14(20)21)9-8-22-12(17-9)11-15-5-3-6-16-11/h3,5-6,8,10H,1-2,4,7H2,(H,20,21).
What are the key properties of 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid?
1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 318.36 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 126789127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).