6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

C20H18N2O4S — CID 4800755

IUPAC6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
SMILESCCOc1ccc(-c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1OC
InChIInChI=1S/C20H18N2O4S/c1-3-25-17-7-5-13(9-18(17)24-2)20-22-15(11-27-20)12-4-6-16-14(8-12)21-19(23)10-26-16/h4-9,11H,3,10H2,1-2H3,(H,21,23)
InChIKeyOQJZSZIBXSZTKB-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.22
Rot. Bonds5

About 6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one (PubChem CID 4800755) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is 6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
PubChem CID4800755
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Name6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
SMILESCCOc1ccc(-c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1OC
InChIInChI=1S/C20H18N2O4S/c1-3-25-17-7-5-13(9-18(17)24-2)20-22-15(11-27-20)12-4-6-16-14(8-12)21-19(23)10-26-16/h4-9,11H,3,10H2,1-2H3,(H,21,23)
InChIKeyOQJZSZIBXSZTKB-UHFFFAOYSA-N
XLogP4.22
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

6-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 2455762
6-(2-amino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 2061961
6-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 35618455
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 55621153
6-(2-thiophen-2-yl-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 7529130
6-(2-chloro-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 116968112
6-[2-(hydroxymethyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 116867442
6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 7529091
6-(4-ethoxyphenyl)-4H-1,4-benzoxazin-3-one
CID 117001077
6-(2-cyclopropyl-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 35618773
(2S)-2-methyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide
CID 1431353
6-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 2468356

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one (CID 4800755) is 6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one is CCOc1ccc(-c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1OC.
What is the InChIKey of 6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one?
The InChIKey is OQJZSZIBXSZTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-3-25-17-7-5-13(9-18(17)24-2)20-22-15(11-27-20)12-4-6-16-14(8-12)21-19(23)10-26-16/h4-9,11H,3,10H2,1-2H3,(H,21,23).
What are the key properties of 6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one?
6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one has a molecular weight of 382.44 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 4800755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).