2-(2-chloro-6-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone

C19H18ClFN2OS — CID 7947820

IUPAC2-(2-chloro-6-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
SMILESCc1ccccc1/N=C1\SCCCN1C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C19H18ClFN2OS/c1-13-6-2-3-9-17(13)22-19-23(10-5-11-25-19)18(24)12-14-15(20)7-4-8-16(14)21/h2-4,6-9H,5,10-12H2,1H3/b22-19-
InChIKeyATJVFQBOVNYEHG-QOCHGBHMSA-N
MW376.88 g/mol
LogP4.98
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone

2-(2-chloro-6-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone (PubChem CID 7947820) has the molecular formula C19H18ClFN2OS and a molecular weight of 376.88 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
PubChem CID7947820
Molecular FormulaC19H18ClFN2OS
Molecular Weight376.88 g/mol
Exact Mass376.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
SMILESCc1ccccc1/N=C1\SCCCN1C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C19H18ClFN2OS/c1-13-6-2-3-9-17(13)22-19-23(10-5-11-25-19)18(24)12-14-15(20)7-4-8-16(14)21/h2-4,6-9H,5,10-12H2,1H3/b22-19-
InChIKeyATJVFQBOVNYEHG-QOCHGBHMSA-N
XLogP4.98
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(2-chloro-6-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2-chloro-4-fluorobenzyl)sulfanyl]-3-methylquinazolin-4(3H)-one
CID 17022336
3-benzyl-2-[(2-chlorobenzyl)sulfanyl]-4(3H)-quinazolinone
CID 4327791
2-[(2-Chloro-4-fluorophenyl)methylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
CID 2089296
Cambridge id 7077738
CID 755167
2-[(2-Chlorophenyl)methylsulfanyl]-3-ethylquinazolin-4-one
CID 1162812
2-[(2-Chloro-6-fluorobenzyl)sulfanyl]-3-methyl-4(3H)-quinazolinone
CID 2172316
1-[2-(3-Chloro-2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2,2-diphenylethanone
CID 2446527
2-{[(2-Chloro-6-fluorophenyl)methyl]sulfanyl}-3-(cyclopropylmethyl)-3,4-dihydroquinazolin-4-one
CID 2730521
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-(3-ethoxypropyl)quinazolin-4(3H)-one
CID 4591630
2-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-3-cyclopropylquinazolin-4-one
CID 7029201
3-Benzyl-2-[(2-chloro-4,5-difluorophenyl)methylsulfanyl]quinazolin-4-one
CID 1811038
2-{[(2-Chloro-6-fluorophenyl)methyl]sulfanyl}-3-{3-[ethyl(phenyl)amino]propyl}-3,4-dihydroquinazolin-4-one
CID 3703270

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone (CID 7947820) is 2-(2-chloro-6-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone is Cc1ccccc1/N=C1\SCCCN1C(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone?
The InChIKey is ATJVFQBOVNYEHG-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H18ClFN2OS/c1-13-6-2-3-9-17(13)22-19-23(10-5-11-25-19)18(24)12-14-15(20)7-4-8-16(14)21/h2-4,6-9H,5,10-12H2,1H3/b22-19-.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone?
2-(2-chloro-6-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone has a molecular weight of 376.88 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone is sourced from PubChem (CID 7947820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).