4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine;hydrobromide

C14H15BrN4S2 — CID 24746815

IUPAC4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1ccc(Nc2nc(-c3sc(N)nc3C)cs2)cc1
InChIInChI=1S/C14H14N4S2.BrH/c1-8-3-5-10(6-4-8)17-14-18-11(7-19-14)12-9(2)16-13(15)20-12;/h3-7H,1-2H3,(H2,15,16)(H,17,18);1H
InChIKeyFAJHBDRIMVXBKE-UHFFFAOYSA-N
MW383.34 g/mol
LogP4.79
Rot. Bonds3

About 4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine;hydrobromide

4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine;hydrobromide (PubChem CID 24746815) has the molecular formula C14H15BrN4S2 and a molecular weight of 383.34 g/mol. Its IUPAC name is 4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound Name4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine;hydrobromide
PubChem CID24746815
Molecular FormulaC14H15BrN4S2
Molecular Weight383.34 g/mol
Exact Mass381.99
IUPAC Name4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1ccc(Nc2nc(-c3sc(N)nc3C)cs2)cc1
InChIInChI=1S/C14H14N4S2.BrH/c1-8-3-5-10(6-4-8)17-14-18-11(7-19-14)12-9(2)16-13(15)20-12;/h3-7H,1-2H3,(H2,15,16)(H,17,18);1H
InChIKeyFAJHBDRIMVXBKE-UHFFFAOYSA-N
XLogP4.79
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.34
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_A(4)', 'substructure': 'N/A'}

Analyze 4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-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

2-Amino-4-(4-aminophenyl)thiazole
CID 605564
4-methyl-N-phenyl-1,3-thiazol-2-amine
CID 676722
N-aryl-4-aryl-1,3-thiazole-2-amine, 25
CID 972657
5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-N-(4-methylphenyl)-4H-1,2,4-triazol-3-amine
CID 9905053
N-aryl-4-aryl-1,3-thiazole-2-amine, 32
CID 25101200
4-tert-butyl-N-o-tolylthiazol-2-amine
CID 44411322
4-tert-butyl-N-phenylthiazol-2-amine
CID 9899450
2-(p-Aminoanilino)-4-phenyl-thiazole
CID 697284
(2',4'-Dimethyl-[4,5']bithiazolyl-2-yl)-m-tolyl-amine
CID 3157522
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1092472
Guanidinenmethylncyanon32nguanidylthiazol4ylphen
CID 14022519
5-(4-Aminophenyl)-4-phenyl-1,3-thiazol-2-amine
CID 622549

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of 4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine;hydrobromide (CID 24746815) is 4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for 4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for 4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine;hydrobromide is Br.Cc1ccc(Nc2nc(-c3sc(N)nc3C)cs2)cc1.
What is the InChIKey of 4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is FAJHBDRIMVXBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S2.BrH/c1-8-3-5-10(6-4-8)17-14-18-11(7-19-14)12-9(2)16-13(15)20-12;/h3-7H,1-2H3,(H2,15,16)(H,17,18);1H.
What are the key properties of 4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine;hydrobromide?
4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 383.34 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 24746815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).