2-(3-bromophenyl)-3-phenyl-1,3-thiazinan-4-one

C16H14BrNOS — CID 155321583

IUPAC2-(3-bromophenyl)-3-phenyl-1,3-thiazinan-4-one
SMILESO=C1CCSC(c2cccc(Br)c2)N1c1ccccc1
InChIInChI=1S/C16H14BrNOS/c17-13-6-4-5-12(11-13)16-18(15(19)9-10-20-16)14-7-2-1-3-8-14/h1-8,11,16H,9-10H2
InChIKeyJYCPIMUFAYULGR-UHFFFAOYSA-N
MW348.27 g/mol
LogP4.62
Rot. Bonds2

About 2-(3-bromophenyl)-3-phenyl-1,3-thiazinan-4-one

2-(3-bromophenyl)-3-phenyl-1,3-thiazinan-4-one (PubChem CID 155321583) has the molecular formula C16H14BrNOS and a molecular weight of 348.27 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-phenyl-1,3-thiazinan-4-one.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-phenyl-1,3-thiazinan-4-one
PubChem CID155321583
Molecular FormulaC16H14BrNOS
Molecular Weight348.27 g/mol
Exact Mass347.00
IUPAC Name2-(3-bromophenyl)-3-phenyl-1,3-thiazinan-4-one
SMILESO=C1CCSC(c2cccc(Br)c2)N1c1ccccc1
InChIInChI=1S/C16H14BrNOS/c17-13-6-4-5-12(11-13)16-18(15(19)9-10-20-16)14-7-2-1-3-8-14/h1-8,11,16H,9-10H2
InChIKeyJYCPIMUFAYULGR-UHFFFAOYSA-N
XLogP4.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromophenyl)-3-phenyl-1,3-thiazinan-4-one 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-(3-bromophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one
CID 3279534
3-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid
CID 3288401
2-(3-bromophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 3288402
2-(3-bromophenyl)-3-(3-chloro-4-methylphenyl)-1,3-thiazolidin-4-one
CID 3288399
(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
4-(3-bromophenyl)-3-methyl-1-phenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135823676
3-(3,4-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazinan-4-one
CID 13304173
3-(4-bromophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 15992471
2-(3-bromophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one
CID 16654588
1-(3-bromophenyl)-3,3-dimethyl-4-phenylazetidin-2-one
CID 102105437
methyl 6-(3-bromophenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 3282786
2-(3-bromophenyl)-3-(2-methoxy-4-methylphenyl)-1,3-thiazolidin-4-one
CID 130464390

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-phenyl-1,3-thiazinan-4-one?
The IUPAC name of 2-(3-bromophenyl)-3-phenyl-1,3-thiazinan-4-one (CID 155321583) is 2-(3-bromophenyl)-3-phenyl-1,3-thiazinan-4-one.
What is the SMILES notation for 2-(3-bromophenyl)-3-phenyl-1,3-thiazinan-4-one?
The canonical SMILES for 2-(3-bromophenyl)-3-phenyl-1,3-thiazinan-4-one is O=C1CCSC(c2cccc(Br)c2)N1c1ccccc1.
What is the InChIKey of 2-(3-bromophenyl)-3-phenyl-1,3-thiazinan-4-one?
The InChIKey is JYCPIMUFAYULGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNOS/c17-13-6-4-5-12(11-13)16-18(15(19)9-10-20-16)14-7-2-1-3-8-14/h1-8,11,16H,9-10H2.
What are the key properties of 2-(3-bromophenyl)-3-phenyl-1,3-thiazinan-4-one?
2-(3-bromophenyl)-3-phenyl-1,3-thiazinan-4-one has a molecular weight of 348.27 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-phenyl-1,3-thiazinan-4-one is sourced from PubChem (CID 155321583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).