(2R)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid

C14H15N3O2S — CID 141220899

IUPAC(2R)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC[C@@H]1c1nc(-c2cccnc2)cs1
InChIInChI=1S/C14H15N3O2S/c18-14(19)17-7-2-1-5-12(17)13-16-11(9-20-13)10-4-3-6-15-8-10/h3-4,6,8-9,12H,1-2,5,7H2,(H,18,19)/t12-/m1/s1
InChIKeyVHSRSQCHQFDALC-GFCCVEGCSA-N
MW289.36 g/mol
LogP3.41
Rot. Bonds2

About (2R)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid

(2R)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid (PubChem CID 141220899) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is (2R)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid
PubChem CID141220899
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name(2R)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC[C@@H]1c1nc(-c2cccnc2)cs1
InChIInChI=1S/C14H15N3O2S/c18-14(19)17-7-2-1-5-12(17)13-16-11(9-20-13)10-4-3-6-15-8-10/h3-4,6,8-9,12H,1-2,5,7H2,(H,18,19)/t12-/m1/s1
InChIKeyVHSRSQCHQFDALC-GFCCVEGCSA-N
XLogP3.41
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid
CID 67479701
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
tert-butyl 2-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
CID 67357840
2-[4-(2-oxo-1H-pyridin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxylic acid
CID 91489837
1-[(2R)-2-(6-pyridin-3-ylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 95826518
2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-1-carboxylic acid
CID 174600282
1-[4-(cyclohexanecarbonyl)-7-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 166108079
N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 86945543
(2S)-N-(4-tert-butylphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 154636961
tert-butyl 2-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 67358584
1-[2-(aminomethyl)piperidin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride
CID 119468149
1-(benzenesulfonyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 26203036

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid?
The IUPAC name of (2R)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid (CID 141220899) is (2R)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid?
The canonical SMILES for (2R)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid is O=C(O)N1CCCC[C@@H]1c1nc(-c2cccnc2)cs1.
What is the InChIKey of (2R)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid?
The InChIKey is VHSRSQCHQFDALC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15N3O2S/c18-14(19)17-7-2-1-5-12(17)13-16-11(9-20-13)10-4-3-6-15-8-10/h3-4,6,8-9,12H,1-2,5,7H2,(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid?
(2R)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid has a molecular weight of 289.36 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 141220899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).