6-(4-bromophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine

C11H12BrN3S — CID 135052694

IUPAC6-(4-bromophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine
SMILESCN(C)C1=NN=CC(c2ccc(Br)cc2)S1
InChIInChI=1S/C11H12BrN3S/c1-15(2)11-14-13-7-10(16-11)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3
InChIKeyAQNLJRPBILMXAH-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.14
Rot. Bonds1

About 6-(4-bromophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine

6-(4-bromophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine (PubChem CID 135052694) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is 6-(4-bromophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine.

Molecular Properties

Compound Name6-(4-bromophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine
PubChem CID135052694
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC Name6-(4-bromophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine
SMILESCN(C)C1=NN=CC(c2ccc(Br)cc2)S1
InChIInChI=1S/C11H12BrN3S/c1-15(2)11-14-13-7-10(16-11)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3
InChIKeyAQNLJRPBILMXAH-UHFFFAOYSA-N
XLogP3.14
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(E)-benzylideneamino]-2-[(4-bromophenyl)methyl]isothiourea
CID 53248984
5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-amine
CID 839873
methyl (NE)-N'-[(E)-1-(4-bromophenyl)ethylideneamino]-N-(dimethylaminomethylidene)carbamimidothioate
CID 9555631
5-(4-bromophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine
CID 10391783
benzaldehyde-S-4-bromobenzylisothiosemicarbazone
CID 129835568
5(4'-Bromophenyl)-2-thiomorpholin-4-yl-6h-1,3,4-thiadiazine hydrobromide
CID 129870441
N,N-dimethyl-6-phenyl-6H-1,3,4-thiadiazin-2-amine
CID 135052689
5-(4-bromophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide
CID 139225336
5-(4-bromophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine
CID 139225337
5-(4-bromophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide
CID 139225345
2-(azepan-1-yl)-5-(4-bromophenyl)-6H-1,3,4-thiadiazine
CID 18356928
2-[(4-bromophenyl)methylsulfanyl]-4H-imidazole
CID 175985860

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine?
The IUPAC name of 6-(4-bromophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine (CID 135052694) is 6-(4-bromophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine.
What is the SMILES notation for 6-(4-bromophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine?
The canonical SMILES for 6-(4-bromophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine is CN(C)C1=NN=CC(c2ccc(Br)cc2)S1.
What is the InChIKey of 6-(4-bromophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine?
The InChIKey is AQNLJRPBILMXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c1-15(2)11-14-13-7-10(16-11)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3.
What are the key properties of 6-(4-bromophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine?
6-(4-bromophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine has a molecular weight of 298.21 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine is sourced from PubChem (CID 135052694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).