1-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid

C14H14N4O3S — CID 122159680

IUPAC1-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2cnc(-c3ncccn3)s2)C1
InChIInChI=1S/C14H14N4O3S/c19-13(18-6-1-3-9(8-18)14(20)21)10-7-17-12(22-10)11-15-4-2-5-16-11/h2,4-5,7,9H,1,3,6,8H2,(H,20,21)
InChIKeyRVRFYNFQGCFEDG-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.54
Rot. Bonds3

About 1-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid

1-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid (PubChem CID 122159680) 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-5-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
PubChem CID122159680
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC Name1-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2cnc(-c3ncccn3)s2)C1
InChIInChI=1S/C14H14N4O3S/c19-13(18-6-1-3-9(8-18)14(20)21)10-7-17-12(22-10)11-15-4-2-5-16-11/h2,4-5,7,9H,1,3,6,8H2,(H,20,21)
InChIKeyRVRFYNFQGCFEDG-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[2-(2-chlorophenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703630
1-(2-thiophen-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119354254
N-(2-aminoethyl)-1-(2-phenyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide
CID 119482163
[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 129427496
[1-(2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 86990968
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 18072986
1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 16776959
[4-(ethylaminomethyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119644496
(3-aminopiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]methanone;hydrochloride
CID 119377484
1-[6-(azepan-1-yl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 102554636
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81445360

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid (CID 122159680) is 1-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)c2cnc(-c3ncccn3)s2)C1.
What is the InChIKey of 1-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is RVRFYNFQGCFEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S/c19-13(18-6-1-3-9(8-18)14(20)21)10-7-17-12(22-10)11-15-4-2-5-16-11/h2,4-5,7,9H,1,3,6,8H2,(H,20,21).
What are the key properties of 1-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid?
1-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 318.36 g/mol, XLogP of 1.54, 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-5-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122159680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).