2-(3-bromo-4-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C16H19BrN2S — CID 105410182

IUPAC2-(3-bromo-4-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCc1ccc(-c2nc3c(s2)C(N)CC(C)(C)C3)cc1Br
InChIInChI=1S/C16H19BrN2S/c1-9-4-5-10(6-11(9)17)15-19-13-8-16(2,3)7-12(18)14(13)20-15/h4-6,12H,7-8,18H2,1-3H3
InChIKeyJOCMNIHYQXVTBH-UHFFFAOYSA-N
MW351.31 g/mol
LogP4.85
Rot. Bonds1

About 2-(3-bromo-4-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

2-(3-bromo-4-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 105410182) has the molecular formula C16H19BrN2S and a molecular weight of 351.31 g/mol. Its IUPAC name is 2-(3-bromo-4-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(3-bromo-4-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID105410182
Molecular FormulaC16H19BrN2S
Molecular Weight351.31 g/mol
Exact Mass350.05
IUPAC Name2-(3-bromo-4-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCc1ccc(-c2nc3c(s2)C(N)CC(C)(C)C3)cc1Br
InChIInChI=1S/C16H19BrN2S/c1-9-4-5-10(6-11(9)17)15-19-13-8-16(2,3)7-12(18)14(13)20-15/h4-6,12H,7-8,18H2,1-3H3
InChIKeyJOCMNIHYQXVTBH-UHFFFAOYSA-N
XLogP4.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromo-4-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine with MolForge

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Related Compounds

2-(3,5-dimethylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62091322
2-(4-methoxy-3-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62132444
5,5-dimethyl-2-phenyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62091138
2-(4-bromo-3-methylphenyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 66479666
5,5-dimethyl-2-(3-nitrophenyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62089380
5,5-dimethyl-2-(5-methylfuran-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62091502
2-(2-fluoro-3-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 107111642
2-(2,4-difluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62795813
2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62090954
2-(5-chloro-2-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62493383
2-(2-methoxy-4-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 106792900
2-(2-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62944736

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(3-bromo-4-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 105410182) is 2-(3-bromo-4-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(3-bromo-4-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(3-bromo-4-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is Cc1ccc(-c2nc3c(s2)C(N)CC(C)(C)C3)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is JOCMNIHYQXVTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2S/c1-9-4-5-10(6-11(9)17)15-19-13-8-16(2,3)7-12(18)14(13)20-15/h4-6,12H,7-8,18H2,1-3H3.
What are the key properties of 2-(3-bromo-4-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
2-(3-bromo-4-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 351.31 g/mol, XLogP of 4.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 105410182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).