6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyridine-2-carboxylic acid

C13H13N3O3S — CID 122053464

IUPAC6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCOC(c3nccs3)C2)n1
InChIInChI=1S/C13H13N3O3S/c17-13(18)9-2-1-3-11(15-9)16-5-6-19-10(8-16)12-14-4-7-20-12/h1-4,7,10H,5-6,8H2,(H,17,18)
InChIKeyJAXDITOAVDEQHI-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.81
Rot. Bonds3

About 6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyridine-2-carboxylic acid

6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyridine-2-carboxylic acid (PubChem CID 122053464) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyridine-2-carboxylic acid
PubChem CID122053464
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCOC(c3nccs3)C2)n1
InChIInChI=1S/C13H13N3O3S/c17-13(18)9-2-1-3-11(15-9)16-5-6-19-10(8-16)12-14-4-7-20-12/h1-4,7,10H,5-6,8H2,(H,17,18)
InChIKeyJAXDITOAVDEQHI-UHFFFAOYSA-N
XLogP1.81
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-thiophen-3-ylmorpholin-4-yl)pyridine-2-carboxylic acid
CID 122054334
6-[2-(3-hydroxyphenyl)morpholin-4-yl]pyridine-2-carboxylic acid
CID 122054423
6-(2-cyanomorpholin-4-yl)pyridine-2-carboxylic acid
CID 79681061
2-[2-(1,3-thiazol-2-yl)morpholin-4-yl]benzene-1,3-dicarbonitrile
CID 154840622
6-(2-cyclohexylmorpholin-4-yl)pyridine-2-carboxylic acid
CID 122051271
4-(1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine
CID 86774924
2-fluoro-6-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]benzonitrile
CID 125129782
1-methyl-4-[6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperazin-2-one
CID 133464320
N-methyl-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 127308401
(2S)-4-(5-bromo-4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)morpholine
CID 97327976
6-(3-hydroxyazetidin-1-yl)pyridine-2-carboxylic acid
CID 83830615
(2S)-4-imidazo[1,2-a]pyrazin-8-yl-2-(1,3-thiazol-2-yl)morpholine
CID 164634498

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyridine-2-carboxylic acid (CID 122053464) is 6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCOC(c3nccs3)C2)n1.
What is the InChIKey of 6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyridine-2-carboxylic acid?
The InChIKey is JAXDITOAVDEQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c17-13(18)9-2-1-3-11(15-9)16-5-6-19-10(8-16)12-14-4-7-20-12/h1-4,7,10H,5-6,8H2,(H,17,18).
What are the key properties of 6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyridine-2-carboxylic acid?
6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyridine-2-carboxylic acid has a molecular weight of 291.33 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122053464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).