[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate

C24H23FN4O3S — CID 89459795

IUPAC[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate
SMILESCCc1nc(-c2ccc(F)cc2C)sc1COC(=O)Nc1ccc2c(c1)nc1n2CCOC1
InChIInChI=1S/C24H23FN4O3S/c1-3-18-21(33-23(28-18)17-6-4-15(25)10-14(17)2)12-32-24(30)26-16-5-7-20-19(11-16)27-22-13-31-9-8-29(20)22/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H,26,30)
InChIKeyHFHXYLCDDYGZRC-UHFFFAOYSA-N
MW466.54 g/mol
LogP5.45
Rot. Bonds5

About [4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate

[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate (PubChem CID 89459795) has the molecular formula C24H23FN4O3S and a molecular weight of 466.54 g/mol. Its IUPAC name is [4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate.

Molecular Properties

Compound Name[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate
PubChem CID89459795
Molecular FormulaC24H23FN4O3S
Molecular Weight466.54 g/mol
Exact Mass466.15
IUPAC Name[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate
SMILESCCc1nc(-c2ccc(F)cc2C)sc1COC(=O)Nc1ccc2c(c1)nc1n2CCOC1
InChIInChI=1S/C24H23FN4O3S/c1-3-18-21(33-23(28-18)17-6-4-15(25)10-14(17)2)12-32-24(30)26-16-5-7-20-19(11-16)27-22-13-31-9-8-29(20)22/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H,26,30)
InChIKeyHFHXYLCDDYGZRC-UHFFFAOYSA-N
XLogP5.45
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate?
The IUPAC name of [4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate (CID 89459795) is [4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate.
What is the SMILES notation for [4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate?
The canonical SMILES for [4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate is CCc1nc(-c2ccc(F)cc2C)sc1COC(=O)Nc1ccc2c(c1)nc1n2CCOC1.
What is the InChIKey of [4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate?
The InChIKey is HFHXYLCDDYGZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3S/c1-3-18-21(33-23(28-18)17-6-4-15(25)10-14(17)2)12-32-24(30)26-16-5-7-20-19(11-16)27-22-13-31-9-8-29(20)22/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H,26,30).
What are the key properties of [4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate?
[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate has a molecular weight of 466.54 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate is sourced from PubChem (CID 89459795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).