6-(2-benzyl-1,3-thiazol-4-yl)-4-ethyl-1,4-benzoxazin-3-one

C20H18N2O2S — CID 3087431

IUPAC6-(2-benzyl-1,3-thiazol-4-yl)-4-ethyl-1,4-benzoxazin-3-one
SMILESCCN1C(=O)COc2ccc(-c3csc(Cc4ccccc4)n3)cc21
InChIInChI=1S/C20H18N2O2S/c1-2-22-17-11-15(8-9-18(17)24-12-20(22)23)16-13-25-19(21-16)10-14-6-4-3-5-7-14/h3-9,11,13H,2,10,12H2,1H3
InChIKeyFCMXJHDSXFIRBI-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.15
Rot. Bonds4

About 6-(2-benzyl-1,3-thiazol-4-yl)-4-ethyl-1,4-benzoxazin-3-one

6-(2-benzyl-1,3-thiazol-4-yl)-4-ethyl-1,4-benzoxazin-3-one (PubChem CID 3087431) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 6-(2-benzyl-1,3-thiazol-4-yl)-4-ethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(2-benzyl-1,3-thiazol-4-yl)-4-ethyl-1,4-benzoxazin-3-one
PubChem CID3087431
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name6-(2-benzyl-1,3-thiazol-4-yl)-4-ethyl-1,4-benzoxazin-3-one
SMILESCCN1C(=O)COc2ccc(-c3csc(Cc4ccccc4)n3)cc21
InChIInChI=1S/C20H18N2O2S/c1-2-22-17-11-15(8-9-18(17)24-12-20(22)23)16-13-25-19(21-16)10-14-6-4-3-5-7-14/h3-9,11,13H,2,10,12H2,1H3
InChIKeyFCMXJHDSXFIRBI-UHFFFAOYSA-N
XLogP4.15
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 20995435
N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 20995409
N,N-diethyl-2-[3-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-1,4-benzoxazin-4-yl]acetamide
CID 39086548
2,2-dimethyl-3-[6-(2-methyl-1,3-thiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]propanoic acid
CID 28898249
N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
CID 20997450
2-[6-(2-methyl-1,3-thiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 28695856
4-[(3,4-dichlorophenyl)methyl]-6-(2-methyl-1,3-thiazol-4-yl)-1,4-benzoxazin-3-one
CID 28695980
4-[6-(2-methyl-1,3-thiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]butanoic acid
CID 28897428
3-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1H-pyrazole-5-carbaldehyde
CID 84761480
4-chloro-N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 20995425
6-(1H-benzimidazol-2-yl)-4-ethyl-1,4-benzoxazin-3-one
CID 168555870
6-(2-methyl-1,3-thiazol-4-yl)-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 28696082

Frequently Asked Questions

What is the IUPAC name of 6-(2-benzyl-1,3-thiazol-4-yl)-4-ethyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-(2-benzyl-1,3-thiazol-4-yl)-4-ethyl-1,4-benzoxazin-3-one (CID 3087431) is 6-(2-benzyl-1,3-thiazol-4-yl)-4-ethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(2-benzyl-1,3-thiazol-4-yl)-4-ethyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(2-benzyl-1,3-thiazol-4-yl)-4-ethyl-1,4-benzoxazin-3-one is CCN1C(=O)COc2ccc(-c3csc(Cc4ccccc4)n3)cc21.
What is the InChIKey of 6-(2-benzyl-1,3-thiazol-4-yl)-4-ethyl-1,4-benzoxazin-3-one?
The InChIKey is FCMXJHDSXFIRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-2-22-17-11-15(8-9-18(17)24-12-20(22)23)16-13-25-19(21-16)10-14-6-4-3-5-7-14/h3-9,11,13H,2,10,12H2,1H3.
What are the key properties of 6-(2-benzyl-1,3-thiazol-4-yl)-4-ethyl-1,4-benzoxazin-3-one?
6-(2-benzyl-1,3-thiazol-4-yl)-4-ethyl-1,4-benzoxazin-3-one has a molecular weight of 350.44 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-benzyl-1,3-thiazol-4-yl)-4-ethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 3087431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).