4-methyl-3-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide

C16H17N3O3S — CID 75538201

IUPAC4-methyl-3-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide
SMILESCc1ccc(C2C(C(=O)Nc3nccs3)OCC(=O)N2C)cc1
InChIInChI=1S/C16H17N3O3S/c1-10-3-5-11(6-4-10)13-14(22-9-12(20)19(13)2)15(21)18-16-17-7-8-23-16/h3-8,13-14H,9H2,1-2H3,(H,17,18,21)
InChIKeyHUXLHQNJZOHKTK-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.99
Rot. Bonds3

About 4-methyl-3-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide

4-methyl-3-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide (PubChem CID 75538201) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 4-methyl-3-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-3-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide
PubChem CID75538201
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name4-methyl-3-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide
SMILESCc1ccc(C2C(C(=O)Nc3nccs3)OCC(=O)N2C)cc1
InChIInChI=1S/C16H17N3O3S/c1-10-3-5-11(6-4-10)13-14(22-9-12(20)19(13)2)15(21)18-16-17-7-8-23-16/h3-8,13-14H,9H2,1-2H3,(H,17,18,21)
InChIKeyHUXLHQNJZOHKTK-UHFFFAOYSA-N
XLogP1.99
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95738379
4-methyl-3-(4-methylphenyl)-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide
CID 75538206
(2R,3R)-N-(4-fluorophenyl)-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 97457319
(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
(2R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 97458161
(2S,3S)-N-butyl-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 97457343
(2S,3S)-4-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-3-phenylmorpholine-2-carboxamide
CID 124882471
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 56730597
(2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 97457767
(5R,6S)-4-methyl-5-(4-methylphenyl)-6-(piperidine-1-carbonyl)morpholin-3-one
CID 97457457
(2S,3S)-3-(4-fluorophenyl)-4-methyl-N-(6-methyl-2-pyridinyl)-5-oxomorpholine-2-carboxamide
CID 97457559

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide?
The IUPAC name of 4-methyl-3-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide (CID 75538201) is 4-methyl-3-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide.
What is the SMILES notation for 4-methyl-3-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide?
The canonical SMILES for 4-methyl-3-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide is Cc1ccc(C2C(C(=O)Nc3nccs3)OCC(=O)N2C)cc1.
What is the InChIKey of 4-methyl-3-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide?
The InChIKey is HUXLHQNJZOHKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-10-3-5-11(6-4-10)13-14(22-9-12(20)19(13)2)15(21)18-16-17-7-8-23-16/h3-8,13-14H,9H2,1-2H3,(H,17,18,21).
What are the key properties of 4-methyl-3-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide?
4-methyl-3-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide is sourced from PubChem (CID 75538201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).