2-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-2,5-diamine

C11H12BrN3S — CID 102768620

IUPAC2-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-2,5-diamine
SMILESCc1cc(Br)cc(C)c1Nc1ncc(N)s1
InChIInChI=1S/C11H12BrN3S/c1-6-3-8(12)4-7(2)10(6)15-11-14-5-9(13)16-11/h3-5H,13H2,1-2H3,(H,14,15)
InChIKeyPICPDDRBZQKLPP-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.85
Rot. Bonds2

About 2-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-2,5-diamine

2-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-2,5-diamine (PubChem CID 102768620) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is 2-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-2,5-diamine
PubChem CID102768620
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC Name2-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-2,5-diamine
SMILESCc1cc(Br)cc(C)c1Nc1ncc(N)s1
InChIInChI=1S/C11H12BrN3S/c1-6-3-8(12)4-7(2)10(6)15-11-14-5-9(13)16-11/h3-5H,13H2,1-2H3,(H,14,15)
InChIKeyPICPDDRBZQKLPP-UHFFFAOYSA-N
XLogP3.85
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-bromo-2,6-dimethylanilino)-1,3-thiazole-5-carboxylate
CID 80571397
2-N-(2,5-dimethylphenyl)-1,3-thiazole-2,5-diamine
CID 102767442
2-N-(2,5-dibromophenyl)-1,3-thiazole-2,5-diamine
CID 102767891
2-N-(4-methoxy-2-methylphenyl)-1,3-thiazole-2,5-diamine
CID 102768352
4-N-(4-bromo-2,6-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 80847198
5-bromo-2-N-(2,4,6-trimethylphenyl)pyridine-2,3-diamine
CID 82094933
N-(4-bromo-2,6-dimethylphenyl)-2,5-dichloropyrimidin-4-amine
CID 79632109
2-(113C)methyl-1,3-thiazol-5-amine
CID 132647797
N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80930862
5-bromo-N-(4-bromo-2,6-dimethylphenyl)-3-chloropyridin-2-amine
CID 103583373
5-bromo-2-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-2,3-diamine
CID 114052101
4-bromo-1-N-(4-bromo-2,6-dimethylphenyl)benzene-1,2-diamine
CID 65467148

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-2,5-diamine (CID 102768620) is 2-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-2,5-diamine is Cc1cc(Br)cc(C)c1Nc1ncc(N)s1.
What is the InChIKey of 2-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-2,5-diamine?
The InChIKey is PICPDDRBZQKLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c1-6-3-8(12)4-7(2)10(6)15-11-14-5-9(13)16-11/h3-5H,13H2,1-2H3,(H,14,15).
What are the key properties of 2-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-2,5-diamine?
2-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-2,5-diamine has a molecular weight of 298.21 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102768620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).