N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide

C17H19N3O3S — CID 56730597

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCc1nc(NC(=O)C2OCC(=O)N(C)C2c2ccccc2)sc1C
InChIInChI=1S/C17H19N3O3S/c1-10-11(2)24-17(18-10)19-16(22)15-14(12-7-5-4-6-8-12)20(3)13(21)9-23-15/h4-8,14-15H,9H2,1-3H3,(H,18,19,22)
InChIKeyHEZMHGGYTSDVHD-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.30
Rot. Bonds3

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 56730597) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID56730597
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCc1nc(NC(=O)C2OCC(=O)N(C)C2c2ccccc2)sc1C
InChIInChI=1S/C17H19N3O3S/c1-10-11(2)24-17(18-10)19-16(22)15-14(12-7-5-4-6-8-12)20(3)13(21)9-23-15/h4-8,14-15H,9H2,1-3H3,(H,18,19,22)
InChIKeyHEZMHGGYTSDVHD-UHFFFAOYSA-N
XLogP2.30
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (CID 56730597) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is Cc1nc(NC(=O)C2OCC(=O)N(C)C2c2ccccc2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is HEZMHGGYTSDVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-10-11(2)24-17(18-10)19-16(22)15-14(12-7-5-4-6-8-12)20(3)13(21)9-23-15/h4-8,14-15H,9H2,1-3H3,(H,18,19,22).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 56730597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).