(2-bromophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone

C17H15BrN2OS — CID 2403072

IUPAC(2-bromophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone
SMILESO=C(c1ccccc1Br)N1CCCS/C1=N\c1ccccc1
InChIInChI=1S/C17H15BrN2OS/c18-15-10-5-4-9-14(15)16(21)20-11-6-12-22-17(20)19-13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2/b19-17-
InChIKeyLJYZJTMOCIOFMW-ZPHPHTNESA-N
MW375.29 g/mol
LogP4.72
Rot. Bonds2

About (2-bromophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone

(2-bromophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone (PubChem CID 2403072) has the molecular formula C17H15BrN2OS and a molecular weight of 375.29 g/mol. Its IUPAC name is (2-bromophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone
PubChem CID2403072
Molecular FormulaC17H15BrN2OS
Molecular Weight375.29 g/mol
Exact Mass374.01
IUPAC Name(2-bromophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone
SMILESO=C(c1ccccc1Br)N1CCCS/C1=N\c1ccccc1
InChIInChI=1S/C17H15BrN2OS/c18-15-10-5-4-9-14(15)16(21)20-11-6-12-22-17(20)19-13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2/b19-17-
InChIKeyLJYZJTMOCIOFMW-ZPHPHTNESA-N
XLogP4.72
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-bromophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone 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

N-phenyl-N-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)benzamide
CID 820120
2-[(2-Bromophenyl)methylsulfanyl]-3-methylquinazolin-4-one
CID 1252523
2-[(3-bromobenzyl)thio]-3-methyl-4(3H)-quinazolinone
CID 1256124
2-((2-(4-Bromophenyl)-2-oxoethyl)sulfanyl)-3-isobutyl-4(3H)-quinazolinone
CID 981617
3,4-dihydro-2H,6H-[1,3]thiazino[2,3-b]quinazolin-6-one
CID 695208
4-bromo-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)benzamide
CID 1097794
2-[(4-bromobenzyl)thio]-3-methyl-4(3H)-quinazolinone
CID 2624222
2-{[2-(4-bromophenyl)-2-oxoethyl]thio}-6-hydroxy-3-phenyl-4(3H)-pyrimidinone
CID 135433271
3-allyl-2-(benzylthio)quinazolin-4(3H)-one
CID 704300
2-((3-(4-Bromo-PH)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)-N,N-diethylacetamide
CID 1544135
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-ethylquinazolin-4(3H)-one
CID 1982491
(2-bromophenyl)(2-((3-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone
CID 5063646

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone?
The IUPAC name of (2-bromophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone (CID 2403072) is (2-bromophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone is O=C(c1ccccc1Br)N1CCCS/C1=N\c1ccccc1.
What is the InChIKey of (2-bromophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone?
The InChIKey is LJYZJTMOCIOFMW-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H15BrN2OS/c18-15-10-5-4-9-14(15)16(21)20-11-6-12-22-17(20)19-13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2/b19-17-.
What are the key properties of (2-bromophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone?
(2-bromophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone has a molecular weight of 375.29 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone is sourced from PubChem (CID 2403072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).