2-(2-cyanomorpholin-4-yl)-1,3-thiazole-5-carboxylic acid

C9H9N3O3S — CID 80572410

IUPAC2-(2-cyanomorpholin-4-yl)-1,3-thiazole-5-carboxylic acid
SMILESN#CC1CN(c2ncc(C(=O)O)s2)CCO1
InChIInChI=1S/C9H9N3O3S/c10-3-6-5-12(1-2-15-6)9-11-4-7(16-9)8(13)14/h4,6H,1-2,5H2,(H,13,14)
InChIKeyTWDCNELFFGJBAC-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.57
Rot. Bonds2

About 2-(2-cyanomorpholin-4-yl)-1,3-thiazole-5-carboxylic acid

2-(2-cyanomorpholin-4-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 80572410) has the molecular formula C9H9N3O3S and a molecular weight of 239.26 g/mol. Its IUPAC name is 2-(2-cyanomorpholin-4-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyanomorpholin-4-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID80572410
Molecular FormulaC9H9N3O3S
Molecular Weight239.26 g/mol
Exact Mass239.04
IUPAC Name2-(2-cyanomorpholin-4-yl)-1,3-thiazole-5-carboxylic acid
SMILESN#CC1CN(c2ncc(C(=O)O)s2)CCO1
InChIInChI=1S/C9H9N3O3S/c10-3-6-5-12(1-2-15-6)9-11-4-7(16-9)8(13)14/h4,6H,1-2,5H2,(H,13,14)
InChIKeyTWDCNELFFGJBAC-UHFFFAOYSA-N
XLogP0.57
TPSA86.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-nitro-1,3-thiazol-2-yl)morpholine-2-carbonitrile
CID 102770047
2-(2-cyanomorpholin-4-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424826
2-(1,4-oxazepan-4-yl)-1,3-thiazole-5-carboxylic acid
CID 62968494
4-(2-cyanomorpholin-4-yl)pyridine-3-carboxylic acid
CID 81244232
4-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]morpholine-2-carbonitrile
CID 79681623
2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 71208672
6-(2-cyanomorpholin-4-yl)pyridine-2-carboxylic acid
CID 79681061
ethyl 6-(2-cyanomorpholin-4-yl)pyridine-3-carboxylate
CID 78946431
2-amino-5-(2-cyanomorpholin-4-yl)pyridine-4-carboxamide
CID 114195238
2-(3-ethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62752952
2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 63168560
4-phenylmorpholine-2-carbonitrile
CID 67651414

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanomorpholin-4-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-cyanomorpholin-4-yl)-1,3-thiazole-5-carboxylic acid (CID 80572410) is 2-(2-cyanomorpholin-4-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-cyanomorpholin-4-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-cyanomorpholin-4-yl)-1,3-thiazole-5-carboxylic acid is N#CC1CN(c2ncc(C(=O)O)s2)CCO1.
What is the InChIKey of 2-(2-cyanomorpholin-4-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is TWDCNELFFGJBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S/c10-3-6-5-12(1-2-15-6)9-11-4-7(16-9)8(13)14/h4,6H,1-2,5H2,(H,13,14).
What are the key properties of 2-(2-cyanomorpholin-4-yl)-1,3-thiazole-5-carboxylic acid?
2-(2-cyanomorpholin-4-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 239.26 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanomorpholin-4-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80572410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).