(2R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide

C17H18FN3O3S — CID 97458161

IUPAC(2R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
SMILESCc1nc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccc(F)cc2)sc1C
InChIInChI=1S/C17H18FN3O3S/c1-9-10(2)25-17(19-9)20-16(23)15-14(21(3)13(22)8-24-15)11-4-6-12(18)7-5-11/h4-7,14-15H,8H2,1-3H3,(H,19,20,23)/t14-,15-/m1/s1
InChIKeyYJGHYMYWFSEMTL-HUUCEWRRSA-N
MW363.41 g/mol
LogP2.44
Rot. Bonds3

About (2R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide

(2R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide (PubChem CID 97458161) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is (2R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
PubChem CID97458161
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC Name(2R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
SMILESCc1nc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccc(F)cc2)sc1C
InChIInChI=1S/C17H18FN3O3S/c1-9-10(2)25-17(19-9)20-16(23)15-14(21(3)13(22)8-24-15)11-4-6-12(18)7-5-11/h4-7,14-15H,8H2,1-3H3,(H,19,20,23)/t14-,15-/m1/s1
InChIKeyYJGHYMYWFSEMTL-HUUCEWRRSA-N
XLogP2.44
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide with MolForge

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 56730597
(2R,3R)-N-(4-fluorophenyl)-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 97457319
(2S,3S)-3-(4-fluorophenyl)-4-methyl-N-(6-methyl-2-pyridinyl)-5-oxomorpholine-2-carboxamide
CID 97457559
(2S,3R)-3-(4-fluorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide
CID 97457632
(5S,6S)-5-(4-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one
CID 97457645
3-(4-fluorophenyl)-4-methyl-N-(2-methylpropyl)-5-oxomorpholine-2-carboxamide
CID 75361012
(2S,3R)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 97457517
(5S,6R)-6-(azepane-1-carbonyl)-5-(4-fluorophenyl)-4-methylmorpholin-3-one
CID 97457639
(2R,3R)-3-(4-chlorophenyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-oxomorpholine-2-carboxamide
CID 95739673
(2R,3S)-3-(4-chlorophenyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-oxomorpholine-2-carboxamide
CID 95739671
(2S,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97457940
(2R,3S)-N-cyclohexyl-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 97457540

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide (CID 97458161) is (2R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide is Cc1nc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccc(F)cc2)sc1C.
What is the InChIKey of (2R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide?
The InChIKey is YJGHYMYWFSEMTL-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c1-9-10(2)25-17(19-9)20-16(23)15-14(21(3)13(22)8-24-15)11-4-6-12(18)7-5-11/h4-7,14-15H,8H2,1-3H3,(H,19,20,23)/t14-,15-/m1/s1.
What are the key properties of (2R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide?
(2R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 97458161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).