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

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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).