4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine

C16H12BrClN2OS — CID 142697325

IUPAC4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3ccc(Br)cc3)cs2)cc1Cl
InChIInChI=1S/C16H12BrClN2OS/c1-21-15-7-6-12(8-13(15)18)19-16-20-14(9-22-16)10-2-4-11(17)5-3-10/h2-9H,1H3,(H,19,20)
InChIKeyYDXFNIRUVGUJER-UHFFFAOYSA-N
MW395.71 g/mol
LogP5.98
Rot. Bonds4

About 4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine

4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 142697325) has the molecular formula C16H12BrClN2OS and a molecular weight of 395.71 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID142697325
Molecular FormulaC16H12BrClN2OS
Molecular Weight395.71 g/mol
Exact Mass393.95
IUPAC Name4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3ccc(Br)cc3)cs2)cc1Cl
InChIInChI=1S/C16H12BrClN2OS/c1-21-15-7-6-12(8-13(15)18)19-16-20-14(9-22-16)10-2-4-11(17)5-3-10/h2-9H,1H3,(H,19,20)
InChIKeyYDXFNIRUVGUJER-UHFFFAOYSA-N
XLogP5.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.71
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(butylamino)phenyl]-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 163907531
4-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 166194851
N-[4-[2-(3-chloro-4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]prop-2-enamide
CID 142697324
4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 44603134
N-(4-bromophenyl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 3551547
4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2877323
4-(4-bromophenyl)-N-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 1184402
N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 5168594
4-(4-bromophenyl)-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine
CID 151197403
N-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2859307
N-(4-bromo-3-chlorophenyl)-4-(3,4-difluorophenyl)-1,3-thiazol-2-amine
CID 10157905
N-(3-bromo-4-methoxyphenyl)-4-chloro-1,3-thiazol-2-amine
CID 83156364

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine (CID 142697325) is 4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(Nc2nc(-c3ccc(Br)cc3)cs2)cc1Cl.
What is the InChIKey of 4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is YDXFNIRUVGUJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2OS/c1-21-15-7-6-12(8-13(15)18)19-16-20-14(9-22-16)10-2-4-11(17)5-3-10/h2-9H,1H3,(H,19,20).
What are the key properties of 4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine?
4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 395.71 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 142697325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).