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

C15H13FN2O4S — CID 125119525

IUPAC(3S)-4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@@H]1COCCN1C(=O)c1cnc(-c2ccccc2F)s1
InChIInChI=1S/C15H13FN2O4S/c16-10-4-2-1-3-9(10)13-17-7-12(23-13)14(19)18-5-6-22-8-11(18)15(20)21/h1-4,7,11H,5-6,8H2,(H,20,21)/t11-/m0/s1
InChIKeyWIIYQGRIMPOWMG-NSHDSACASA-N
MW336.34 g/mol
LogP1.87
Rot. Bonds3

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

(3S)-4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid (PubChem CID 125119525) has the molecular formula C15H13FN2O4S and a molecular weight of 336.34 g/mol. Its IUPAC name is (3S)-4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
PubChem CID125119525
Molecular FormulaC15H13FN2O4S
Molecular Weight336.34 g/mol
Exact Mass336.06
IUPAC Name(3S)-4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@@H]1COCCN1C(=O)c1cnc(-c2ccccc2F)s1
InChIInChI=1S/C15H13FN2O4S/c16-10-4-2-1-3-9(10)13-17-7-12(23-13)14(19)18-5-6-22-8-11(18)15(20)21/h1-4,7,11H,5-6,8H2,(H,20,21)/t11-/m0/s1
InChIKeyWIIYQGRIMPOWMG-NSHDSACASA-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

(3S)-4-[2-(2-chlorophenyl)-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
CID 125153686
4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-2-carboxylic acid
CID 119239535
[(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)-4-(2-propyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
CID 125119497
4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylic acid
CID 107013662
4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid
CID 122146528
(3S)-4-(5-chlorothiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513737
4-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 119216837
4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
CID 119215888
(3R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
CID 125150119
[2-(aminomethyl)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 119468293
(3S)-4-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 125133089

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid?
The IUPAC name of (3S)-4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid (CID 125119525) is (3S)-4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3S)-4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid is O=C(O)[C@@H]1COCCN1C(=O)c1cnc(-c2ccccc2F)s1.
What is the InChIKey of (3S)-4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid?
The InChIKey is WIIYQGRIMPOWMG-NSHDSACASA-N. The full InChI is InChI=1S/C15H13FN2O4S/c16-10-4-2-1-3-9(10)13-17-7-12(23-13)14(19)18-5-6-22-8-11(18)15(20)21/h1-4,7,11H,5-6,8H2,(H,20,21)/t11-/m0/s1.
What are the key properties of (3S)-4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid?
(3S)-4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-3-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 (3S)-4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125119525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).