4-[4-(4-bromoanilino)-3,5-dimethylphenyl]-1,3-thiazol-2-amine

C17H16BrN3S — CID 174737012

IUPAC4-[4-(4-bromoanilino)-3,5-dimethylphenyl]-1,3-thiazol-2-amine
SMILESCc1cc(-c2csc(N)n2)cc(C)c1Nc1ccc(Br)cc1
InChIInChI=1S/C17H16BrN3S/c1-10-7-12(15-9-22-17(19)21-15)8-11(2)16(10)20-14-5-3-13(18)4-6-14/h3-9,20H,1-2H3,(H2,19,21)
InChIKeyUZUDKWLMLUHFLL-UHFFFAOYSA-N
MW374.31 g/mol
LogP5.52
Rot. Bonds3

About 4-[4-(4-bromoanilino)-3,5-dimethylphenyl]-1,3-thiazol-2-amine

4-[4-(4-bromoanilino)-3,5-dimethylphenyl]-1,3-thiazol-2-amine (PubChem CID 174737012) has the molecular formula C17H16BrN3S and a molecular weight of 374.31 g/mol. Its IUPAC name is 4-[4-(4-bromoanilino)-3,5-dimethylphenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(4-bromoanilino)-3,5-dimethylphenyl]-1,3-thiazol-2-amine
PubChem CID174737012
Molecular FormulaC17H16BrN3S
Molecular Weight374.31 g/mol
Exact Mass373.02
IUPAC Name4-[4-(4-bromoanilino)-3,5-dimethylphenyl]-1,3-thiazol-2-amine
SMILESCc1cc(-c2csc(N)n2)cc(C)c1Nc1ccc(Br)cc1
InChIInChI=1S/C17H16BrN3S/c1-10-7-12(15-9-22-17(19)21-15)8-11(2)16(10)20-14-5-3-13(18)4-6-14/h3-9,20H,1-2H3,(H2,19,21)
InChIKeyUZUDKWLMLUHFLL-UHFFFAOYSA-N
XLogP5.52
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.31
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-aryl-4-aryl-1,3-thiazole-2-amine, 26
CID 768043
N-(4-Methylphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 622356
N-(4-Bromophenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 2185383
N-(4-Bromophenyl)-4-phenylthiazol-2-amine
CID 4456143
4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 45488843
4-(4-Bromophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 631670
N-(4-bromo-2-ethylphenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 126619396
4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 691643
N-(3,4-diphenyl-1,3-thiazol-2(3H)-ylidene)-2-methyl-2-propanaminium bromide
CID 2833372
4-(4-bromophenyl)-N,3-bis(2-methylphenyl)-1,3-thiazol-3-ium-2-amine bromide
CID 16195904
4-[2-fluoro-5-(trifluoromethyl)phenyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 76313886
4-(4-bromophenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine
CID 122183916

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-bromoanilino)-3,5-dimethylphenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(4-bromoanilino)-3,5-dimethylphenyl]-1,3-thiazol-2-amine (CID 174737012) is 4-[4-(4-bromoanilino)-3,5-dimethylphenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(4-bromoanilino)-3,5-dimethylphenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(4-bromoanilino)-3,5-dimethylphenyl]-1,3-thiazol-2-amine is Cc1cc(-c2csc(N)n2)cc(C)c1Nc1ccc(Br)cc1.
What is the InChIKey of 4-[4-(4-bromoanilino)-3,5-dimethylphenyl]-1,3-thiazol-2-amine?
The InChIKey is UZUDKWLMLUHFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3S/c1-10-7-12(15-9-22-17(19)21-15)8-11(2)16(10)20-14-5-3-13(18)4-6-14/h3-9,20H,1-2H3,(H2,19,21).
What are the key properties of 4-[4-(4-bromoanilino)-3,5-dimethylphenyl]-1,3-thiazol-2-amine?
4-[4-(4-bromoanilino)-3,5-dimethylphenyl]-1,3-thiazol-2-amine has a molecular weight of 374.31 g/mol, XLogP of 5.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-bromoanilino)-3,5-dimethylphenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 174737012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).