4-[3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid

C16H17N3O3S — CID 119183715

IUPAC4-[3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCc1csc(C2CCCN(C(=O)c3ccnc(C(=O)O)c3)C2)n1
InChIInChI=1S/C16H17N3O3S/c1-10-9-23-14(18-10)12-3-2-6-19(8-12)15(20)11-4-5-17-13(7-11)16(21)22/h4-5,7,9,12H,2-3,6,8H2,1H3,(H,21,22)
InChIKeyZBGUOMBSFFWBPH-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.56
Rot. Bonds3

About 4-[3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid

4-[3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid (PubChem CID 119183715) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 4-[3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
PubChem CID119183715
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name4-[3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCc1csc(C2CCCN(C(=O)c3ccnc(C(=O)O)c3)C2)n1
InChIInChI=1S/C16H17N3O3S/c1-10-9-23-14(18-10)12-3-2-6-19(8-12)15(20)11-4-5-17-13(7-11)16(21)22/h4-5,7,9,12H,2-3,6,8H2,1H3,(H,21,22)
InChIKeyZBGUOMBSFFWBPH-UHFFFAOYSA-N
XLogP2.56
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
[3-(methoxymethyl)phenyl]-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95779039
[3-(methoxymethyl)phenyl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95779038
3-[3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-5-nitrobenzoic acid
CID 119183712
(3-methylfuran-2-yl)-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768617
4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700662
4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 113384996
4-[2-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]benzoic acid
CID 129470154
(5-ethyl-1,3-oxazol-4-yl)-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95779103
2-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridine-4-carboxamide
CID 68671050
[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95779008
2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95051897

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid (CID 119183715) is 4-[3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid is Cc1csc(C2CCCN(C(=O)c3ccnc(C(=O)O)c3)C2)n1.
What is the InChIKey of 4-[3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is ZBGUOMBSFFWBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-10-9-23-14(18-10)12-3-2-6-19(8-12)15(20)11-4-5-17-13(7-11)16(21)22/h4-5,7,9,12H,2-3,6,8H2,1H3,(H,21,22).
What are the key properties of 4-[3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid?
4-[3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 331.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119183715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).