4-(4-bromophenyl)-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine

C15H8BrCl3N2S — CID 151197403

IUPAC4-(4-bromophenyl)-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine
SMILESClc1cc(Cl)c(Nc2nc(-c3ccc(Br)cc3)cs2)c(Cl)c1
InChIInChI=1S/C15H8BrCl3N2S/c16-9-3-1-8(2-4-9)13-7-22-15(20-13)21-14-11(18)5-10(17)6-12(14)19/h1-7H,(H,20,21)
InChIKeyNHOZRHGQJBQINJ-UHFFFAOYSA-N
MW434.57 g/mol
LogP7.28
Rot. Bonds3

About 4-(4-bromophenyl)-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine

4-(4-bromophenyl)-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine (PubChem CID 151197403) has the molecular formula C15H8BrCl3N2S and a molecular weight of 434.57 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine
PubChem CID151197403
Molecular FormulaC15H8BrCl3N2S
Molecular Weight434.57 g/mol
Exact Mass431.87
IUPAC Name4-(4-bromophenyl)-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine
SMILESClc1cc(Cl)c(Nc2nc(-c3ccc(Br)cc3)cs2)c(Cl)c1
InChIInChI=1S/C15H8BrCl3N2S/c16-9-3-1-8(2-4-9)13-7-22-15(20-13)21-14-11(18)5-10(17)6-12(14)19/h1-7H,(H,20,21)
InChIKeyNHOZRHGQJBQINJ-UHFFFAOYSA-N
XLogP7.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.57
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-naphthalen-2-yl-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine
CID 58911073
N-(4-bromophenyl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 3551547
4-[4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine
CID 58910643
4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 142697325
4-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine
CID 1211245
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 4161376
[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazine;hydrochloride
CID 90481496
4-(4-bromophenyl)-N-[(Z)-(3,5-dichloro-2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 42370874
N-(4-bromo-3-chlorophenyl)-4-(3,4-difluorophenyl)-1,3-thiazol-2-amine
CID 10157905
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-chlorobenzenesulfonamide
CID 91966356
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenyl)sulfanylacetamide
CID 23765185
3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 877802

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-bromophenyl)-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine (CID 151197403) is 4-(4-bromophenyl)-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine is Clc1cc(Cl)c(Nc2nc(-c3ccc(Br)cc3)cs2)c(Cl)c1.
What is the InChIKey of 4-(4-bromophenyl)-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is NHOZRHGQJBQINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrCl3N2S/c16-9-3-1-8(2-4-9)13-7-22-15(20-13)21-14-11(18)5-10(17)6-12(14)19/h1-7H,(H,20,21).
What are the key properties of 4-(4-bromophenyl)-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine?
4-(4-bromophenyl)-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 434.57 g/mol, XLogP of 7.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 151197403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).