4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-2-carboxylic acid

C15H13FN2O4S — CID 119239535

IUPAC4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cnc(-c3ccccc3F)s2)CCO1
InChIInChI=1S/C15H13FN2O4S/c16-10-4-2-1-3-9(10)13-17-7-12(23-13)14(19)18-5-6-22-11(8-18)15(20)21/h1-4,7,11H,5-6,8H2,(H,20,21)
InChIKeyPIEPTPJDOIWDIH-UHFFFAOYSA-N
MW336.34 g/mol
LogP1.87
Rot. Bonds3

About 4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-2-carboxylic acid

4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-2-carboxylic acid (PubChem CID 119239535) has the molecular formula C15H13FN2O4S and a molecular weight of 336.34 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-2-carboxylic acid
PubChem CID119239535
Molecular FormulaC15H13FN2O4S
Molecular Weight336.34 g/mol
Exact Mass336.06
IUPAC Name4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cnc(-c3ccccc3F)s2)CCO1
InChIInChI=1S/C15H13FN2O4S/c16-10-4-2-1-3-9(10)13-17-7-12(23-13)14(19)18-5-6-22-11(8-18)15(20)21/h1-4,7,11H,5-6,8H2,(H,20,21)
InChIKeyPIEPTPJDOIWDIH-UHFFFAOYSA-N
XLogP1.87
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-(2-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid
CID 129397501
(2R)-4-(2-benzyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid
CID 124610795
(3S)-4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
CID 125119525
[(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methanone
CID 95583496
(3S)-1-[2-(2-chlorophenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703630
3-[(3S)-1-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]piperidin-3-yl]propanoic acid
CID 124700912
(3S)-1-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 125132297
(2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carboxylic acid
CID 124704099
4-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119239314
4-(6-fluoro-1-benzothiophene-2-carbonyl)morpholine-2-carboxylic acid
CID 81115536
(2R)-4-[5-(2-chlorophenyl)-1,3-oxazole-4-carbonyl]morpholine-2-carboxylic acid
CID 129415634
4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylic acid
CID 120526060

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-2-carboxylic acid (CID 119239535) is 4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)c2cnc(-c3ccccc3F)s2)CCO1.
What is the InChIKey of 4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is PIEPTPJDOIWDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4S/c16-10-4-2-1-3-9(10)13-17-7-12(23-13)14(19)18-5-6-22-11(8-18)15(20)21/h1-4,7,11H,5-6,8H2,(H,20,21).
What are the key properties of 4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-2-carboxylic acid?
4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 336.34 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119239535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).