8-ethoxy-2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one

C18H16N2O2S — CID 2928550

IUPAC8-ethoxy-2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one
SMILESCCOc1ccc2c(c1)nc1n2C(=O)CC(c2ccccc2)S1
InChIInChI=1S/C18H16N2O2S/c1-2-22-13-8-9-15-14(10-13)19-18-20(15)17(21)11-16(23-18)12-6-4-3-5-7-12/h3-10,16H,2,11H2,1H3
InChIKeyPGFYTJLJFLMTBB-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.31
Rot. Bonds3

About 8-ethoxy-2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one

8-ethoxy-2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one (PubChem CID 2928550) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 8-ethoxy-2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name8-ethoxy-2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one
PubChem CID2928550
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name8-ethoxy-2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one
SMILESCCOc1ccc2c(c1)nc1n2C(=O)CC(c2ccccc2)S1
InChIInChI=1S/C18H16N2O2S/c1-2-22-13-8-9-15-14(10-13)19-18-20(15)17(21)11-16(23-18)12-6-4-3-5-7-12/h3-10,16H,2,11H2,1H3
InChIKeyPGFYTJLJFLMTBB-UHFFFAOYSA-N
XLogP4.31
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 2937079
N-(4-ethoxyphenyl)-2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
CID 20878126
3-methyl-6-phenyl-2-sulfanylidene-1,3-thiazinan-4-one
CID 14142764
(1-benzyl-5-ethoxybenzimidazol-2-yl)methanethiol
CID 82334952
2-[5-ethoxy-1-(3-oxobutyl)benzimidazol-2-yl]acetic acid
CID 82334641
3-ethoxy-4-phenyl-4,5-dihydro-1,2,5-oxadiazin-6-one
CID 102088123
(7R)-7-(4-fluorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one
CID 1192950
3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-one
CID 81415089
3-(3-ethoxyphenyl)-2-ethyl-2-methylcyclobutan-1-one
CID 81415576
2-(4-methoxyphenyl)-5-propyl-2,3-dihydro-1,5-benzothiazepin-4-one
CID 4145870
3-(3-ethoxyphenyl)-2-methylcyclobutan-1-one
CID 81414960
2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6-phenyl-6,7-dihydro-5H-indol-4-one
CID 4073969

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one?
The IUPAC name of 8-ethoxy-2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one (CID 2928550) is 8-ethoxy-2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one.
What is the SMILES notation for 8-ethoxy-2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one?
The canonical SMILES for 8-ethoxy-2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one is CCOc1ccc2c(c1)nc1n2C(=O)CC(c2ccccc2)S1.
What is the InChIKey of 8-ethoxy-2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one?
The InChIKey is PGFYTJLJFLMTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-2-22-13-8-9-15-14(10-13)19-18-20(15)17(21)11-16(23-18)12-6-4-3-5-7-12/h3-10,16H,2,11H2,1H3.
What are the key properties of 8-ethoxy-2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one?
8-ethoxy-2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one has a molecular weight of 324.41 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one is sourced from PubChem (CID 2928550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).