5-(4-bromophenyl)-N-(4-methylphenyl)-6H-1,3,4-thiadiazine-2-carboxamide

C17H14BrN3OS — CID 138811114

IUPAC5-(4-bromophenyl)-N-(4-methylphenyl)-6H-1,3,4-thiadiazine-2-carboxamide
SMILESCc1ccc(NC(=O)C2=NN=C(c3ccc(Br)cc3)CS2)cc1
InChIInChI=1S/C17H14BrN3OS/c1-11-2-8-14(9-3-11)19-16(22)17-21-20-15(10-23-17)12-4-6-13(18)7-5-12/h2-9H,10H2,1H3,(H,19,22)
InChIKeyOTYBUVUIQKMTDG-UHFFFAOYSA-N
MW388.29 g/mol
LogP4.25
Rot. Bonds3

About 5-(4-bromophenyl)-N-(4-methylphenyl)-6H-1,3,4-thiadiazine-2-carboxamide

5-(4-bromophenyl)-N-(4-methylphenyl)-6H-1,3,4-thiadiazine-2-carboxamide (PubChem CID 138811114) has the molecular formula C17H14BrN3OS and a molecular weight of 388.29 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(4-methylphenyl)-6H-1,3,4-thiadiazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(4-methylphenyl)-6H-1,3,4-thiadiazine-2-carboxamide
PubChem CID138811114
Molecular FormulaC17H14BrN3OS
Molecular Weight388.29 g/mol
Exact Mass387.00
IUPAC Name5-(4-bromophenyl)-N-(4-methylphenyl)-6H-1,3,4-thiadiazine-2-carboxamide
SMILESCc1ccc(NC(=O)C2=NN=C(c3ccc(Br)cc3)CS2)cc1
InChIInChI=1S/C17H14BrN3OS/c1-11-2-8-14(9-3-11)19-16(22)17-21-20-15(10-23-17)12-4-6-13(18)7-5-12/h2-9H,10H2,1H3,(H,19,22)
InChIKeyOTYBUVUIQKMTDG-UHFFFAOYSA-N
XLogP4.25
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.29
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide
CID 5030067
N-(4-bromophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391151
N-(4-bromophenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265801
1-(4-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215296
12-(4-bromophenyl)-N-(4-fluorophenyl)-4-methyl-2-oxo-6,10-dithia-1,8,13-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,12-tetraene-5-carboxamide
CID 22590039
N-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242129
N-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578973
2-(4-bromoanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109335162
4-bromo-N-(4-methylphenyl)pyridine-2-carboxamide
CID 132587528
N-(4-bromophenyl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198290
N-(4-bromophenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 110859671
1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 31778353

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(4-methylphenyl)-6H-1,3,4-thiadiazine-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-(4-methylphenyl)-6H-1,3,4-thiadiazine-2-carboxamide (CID 138811114) is 5-(4-bromophenyl)-N-(4-methylphenyl)-6H-1,3,4-thiadiazine-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-(4-methylphenyl)-6H-1,3,4-thiadiazine-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-(4-methylphenyl)-6H-1,3,4-thiadiazine-2-carboxamide is Cc1ccc(NC(=O)C2=NN=C(c3ccc(Br)cc3)CS2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-N-(4-methylphenyl)-6H-1,3,4-thiadiazine-2-carboxamide?
The InChIKey is OTYBUVUIQKMTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3OS/c1-11-2-8-14(9-3-11)19-16(22)17-21-20-15(10-23-17)12-4-6-13(18)7-5-12/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of 5-(4-bromophenyl)-N-(4-methylphenyl)-6H-1,3,4-thiadiazine-2-carboxamide?
5-(4-bromophenyl)-N-(4-methylphenyl)-6H-1,3,4-thiadiazine-2-carboxamide has a molecular weight of 388.29 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-(4-methylphenyl)-6H-1,3,4-thiadiazine-2-carboxamide is sourced from PubChem (CID 138811114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).