4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;hydrobromide

C16H17BrN4S — CID 5344942

IUPAC4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;hydrobromide
SMILESBr.CN(C)c1ccc(Nc2nc(-c3cccnc3)cs2)cc1
InChIInChI=1S/C16H16N4S.BrH/c1-20(2)14-7-5-13(6-8-14)18-16-19-15(11-21-16)12-4-3-9-17-10-12;/h3-11H,1-2H3,(H,18,19);1H
InChIKeyXEQWFWUOKRJSCB-UHFFFAOYSA-N
MW377.31 g/mol
LogP4.59
Rot. Bonds4

About 4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;hydrobromide

4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;hydrobromide (PubChem CID 5344942) has the molecular formula C16H17BrN4S and a molecular weight of 377.31 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;hydrobromide.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;hydrobromide
PubChem CID5344942
Molecular FormulaC16H17BrN4S
Molecular Weight377.31 g/mol
Exact Mass376.04
IUPAC Name4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;hydrobromide
SMILESBr.CN(C)c1ccc(Nc2nc(-c3cccnc3)cs2)cc1
InChIInChI=1S/C16H16N4S.BrH/c1-20(2)14-7-5-13(6-8-14)18-16-19-15(11-21-16)12-4-3-9-17-10-12;/h3-11H,1-2H3,(H,18,19);1H
InChIKeyXEQWFWUOKRJSCB-UHFFFAOYSA-N
XLogP4.59
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;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-dipyridin-3-yl-1,3-thiazol-2-amine
CID 2215784
N-[4-(4-methylphenoxy)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791876
N-(3,5-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58910456
N-(6-phenyl-3-pyridinyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791761
N-methyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 167872617
N-(6-chloro-3-pyridinyl)-4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine
CID 166340336
N-[3-(difluoromethyl)-4-fluorophenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 143328866
1-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 53338296
N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 62942552
3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 58791547
N-(2-ethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 746667
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791500

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;hydrobromide?
The IUPAC name of 4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;hydrobromide (CID 5344942) is 4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;hydrobromide.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;hydrobromide?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;hydrobromide is Br.CN(C)c1ccc(Nc2nc(-c3cccnc3)cs2)cc1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;hydrobromide?
The InChIKey is XEQWFWUOKRJSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S.BrH/c1-20(2)14-7-5-13(6-8-14)18-16-19-15(11-21-16)12-4-3-9-17-10-12;/h3-11H,1-2H3,(H,18,19);1H.
What are the key properties of 4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;hydrobromide?
4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;hydrobromide has a molecular weight of 377.31 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;hydrobromide is sourced from PubChem (CID 5344942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).