4-(4-bromophenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide

C16H14Br2N2S — CID 2840172

IUPAC4-(4-bromophenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1ccc(Nc2nc(-c3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C16H13BrN2S.BrH/c1-11-2-8-14(9-3-11)18-16-19-15(10-20-16)12-4-6-13(17)7-5-12;/h2-10H,1H3,(H,18,19);1H
InChIKeyHDJLXXDIEZKWLL-UHFFFAOYSA-N
MW426.18 g/mol
LogP6.20
Rot. Bonds3

About 4-(4-bromophenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide

4-(4-bromophenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide (PubChem CID 2840172) has the molecular formula C16H14Br2N2S and a molecular weight of 426.18 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
PubChem CID2840172
Molecular FormulaC16H14Br2N2S
Molecular Weight426.18 g/mol
Exact Mass423.92
IUPAC Name4-(4-bromophenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1ccc(Nc2nc(-c3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C16H13BrN2S.BrH/c1-11-2-8-14(9-3-11)18-16-19-15(10-20-16)12-4-6-13(17)7-5-12;/h2-10H,1H3,(H,18,19);1H
InChIKeyHDJLXXDIEZKWLL-UHFFFAOYSA-N
XLogP6.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.18
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4-(4-aminophenyl)thiazole
CID 605564
N-aryl-4-aryl-1,3-thiazole-2-amine, 25
CID 972657
N-aryl-4-aryl-1,3-thiazole-2-amine, 32
CID 25101200
2-(p-Aminoanilino)-4-phenyl-thiazole
CID 697284
5-(4-Aminophenyl)-4-phenyl-1,3-thiazol-2-amine
CID 622549
4-(4-Fluorophenyl)-N-phenyl-1,3-thiazol-2-amine
CID 1284592
4-methyl-N,5-diphenyl-1,3-thiazol-2-amine
CID 2336973
N-Phenyl-N'-(4-phenyl-2-thiazolyl)urea
CID 832542
4-(4-Bromophenyl)-1,3-thiazol-2-amine
CID 620683
N-aryl-4-aryl-1,3-thiazole-2-amine, 26
CID 768043
1-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]-3-phenylthiourea
CID 930568
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 753967

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of 4-(4-bromophenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide (CID 2840172) is 4-(4-bromophenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for 4-(4-bromophenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for 4-(4-bromophenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide is Br.Cc1ccc(Nc2nc(-c3ccc(Br)cc3)cs2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is HDJLXXDIEZKWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2S.BrH/c1-11-2-8-14(9-3-11)18-16-19-15(10-20-16)12-4-6-13(17)7-5-12;/h2-10H,1H3,(H,18,19);1H.
What are the key properties of 4-(4-bromophenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide?
4-(4-bromophenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 426.18 g/mol, XLogP of 6.20, 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-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 2840172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).