N-ethyl-N-methyl-2-[[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]methyl]-1,3-thiazole-4-carboxamide

C24H23N3O5S — CID 46035469

IUPACN-ethyl-N-methyl-2-[[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCCN(C)C(=O)c1csc(CN2C(=O)COc3ccc(C(=O)COc4ccccc4)cc32)n1
InChIInChI=1S/C24H23N3O5S/c1-3-26(2)24(30)18-15-33-22(25-18)12-27-19-11-16(9-10-21(19)32-14-23(27)29)20(28)13-31-17-7-5-4-6-8-17/h4-11,15H,3,12-14H2,1-2H3
InChIKeyAMCMXRRGIJYWHI-UHFFFAOYSA-N
MW465.53 g/mol
LogP3.42
Rot. Bonds8

About N-ethyl-N-methyl-2-[[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]methyl]-1,3-thiazole-4-carboxamide

N-ethyl-N-methyl-2-[[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 46035469) has the molecular formula C24H23N3O5S and a molecular weight of 465.53 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID46035469
Molecular FormulaC24H23N3O5S
Molecular Weight465.53 g/mol
Exact Mass465.14
IUPAC NameN-ethyl-N-methyl-2-[[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCCN(C)C(=O)c1csc(CN2C(=O)COc3ccc(C(=O)COc4ccccc4)cc32)n1
InChIInChI=1S/C24H23N3O5S/c1-3-26(2)24(30)18-15-33-22(25-18)12-27-19-11-16(9-10-21(19)32-14-23(27)29)20(28)13-31-17-7-5-4-6-8-17/h4-11,15H,3,12-14H2,1-2H3
InChIKeyAMCMXRRGIJYWHI-UHFFFAOYSA-N
XLogP3.42
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-N-methyl-2-[[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]methyl]-1,3-thiazole-4-carboxamide (CID 46035469) is N-ethyl-N-methyl-2-[[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-methyl-2-[[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]methyl]-1,3-thiazole-4-carboxamide is CCN(C)C(=O)c1csc(CN2C(=O)COc3ccc(C(=O)COc4ccccc4)cc32)n1.
What is the InChIKey of N-ethyl-N-methyl-2-[[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is AMCMXRRGIJYWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S/c1-3-26(2)24(30)18-15-33-22(25-18)12-27-19-11-16(9-10-21(19)32-14-23(27)29)20(28)13-31-17-7-5-4-6-8-17/h4-11,15H,3,12-14H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-2-[[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
N-ethyl-N-methyl-2-[[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 465.53 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46035469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).