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

C18H18BrClN2S — CID 2859307

IUPACN-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1ccc(-c2csc(Nc3ccc(C)c(Cl)c3)n2)cc1C
InChIInChI=1S/C18H17ClN2S.BrH/c1-11-4-6-14(8-13(11)3)17-10-22-18(21-17)20-15-7-5-12(2)16(19)9-15;/h4-10H,1-3H3,(H,20,21);1H
InChIKeyBRUZVDXLHNOSDD-UHFFFAOYSA-N
MW409.78 g/mol
LogP6.71
Rot. Bonds3

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

N-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide (PubChem CID 2859307) has the molecular formula C18H18BrClN2S and a molecular weight of 409.78 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
PubChem CID2859307
Molecular FormulaC18H18BrClN2S
Molecular Weight409.78 g/mol
Exact Mass408.01
IUPAC NameN-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1ccc(-c2csc(Nc3ccc(C)c(Cl)c3)n2)cc1C
InChIInChI=1S/C18H17ClN2S.BrH/c1-11-4-6-14(8-13(11)3)17-10-22-18(21-17)20-15-7-5-12(2)16(19)9-15;/h4-10H,1-3H3,(H,20,21);1H
InChIKeyBRUZVDXLHNOSDD-UHFFFAOYSA-N
XLogP6.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.78
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2858486
N-(3-chloro-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 2214320
N-(3-chloro-4-methylphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 23804659
4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 873210
N-(3-chloro-4-methylphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 19132871
4-chloro-N-(3-chloro-4-methylphenyl)-1,3-thiazol-2-amine
CID 83152094
N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 3721108
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 753967
3-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenol
CID 873220
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane
CID 91283216
N-(1,3-benzodioxol-5-yl)-4-(4-chloro-3-methylphenyl)-1,3-thiazol-2-amine
CID 84564736
[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174047

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide (CID 2859307) is N-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide is Br.Cc1ccc(-c2csc(Nc3ccc(C)c(Cl)c3)n2)cc1C.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is BRUZVDXLHNOSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2S.BrH/c1-11-4-6-14(8-13(11)3)17-10-22-18(21-17)20-15-7-5-12(2)16(19)9-15;/h4-10H,1-3H3,(H,20,21);1H.
What are the key properties of N-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide?
N-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 409.78 g/mol, XLogP of 6.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 2859307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).