N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propane-1,3-diamine;dihydrochloride

C13H19Cl2N3S — CID 18948824

IUPACN'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propane-1,3-diamine;dihydrochloride
SMILESCc1sc(NCCCN)nc1-c1ccccc1.Cl.Cl
InChIInChI=1S/C13H17N3S.2ClH/c1-10-12(11-6-3-2-4-7-11)16-13(17-10)15-9-5-8-14;;/h2-4,6-7H,5,8-9,14H2,1H3,(H,15,16);2*1H
InChIKeyVKUOZEVVEAWLNF-UHFFFAOYSA-N
MW320.29 g/mol
LogP3.72
Rot. Bonds5

About N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propane-1,3-diamine;dihydrochloride

N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propane-1,3-diamine;dihydrochloride (PubChem CID 18948824) has the molecular formula C13H19Cl2N3S and a molecular weight of 320.29 g/mol. Its IUPAC name is N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propane-1,3-diamine;dihydrochloride
PubChem CID18948824
Molecular FormulaC13H19Cl2N3S
Molecular Weight320.29 g/mol
Exact Mass319.07
IUPAC NameN'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propane-1,3-diamine;dihydrochloride
SMILESCc1sc(NCCCN)nc1-c1ccccc1.Cl.Cl
InChIInChI=1S/C13H17N3S.2ClH/c1-10-12(11-6-3-2-4-7-11)16-13(17-10)15-9-5-8-14;;/h2-4,6-7H,5,8-9,14H2,1H3,(H,15,16);2*1H
InChIKeyVKUOZEVVEAWLNF-UHFFFAOYSA-N
XLogP3.72
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propane-1,3-diamine;dihydrochloride 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

5-methyl-4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine;hydrobromide
CID 20558014
N-(2-methoxyethyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2462730
N-benzyl-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2441520
N'-(1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 24710896
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
4-methyl-1-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059125
N'-(4,5-dimethyl-1,3-thiazol-2-yl)hexane-1,6-diamine
CID 107844668
N-(2-bromophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine;hydrochloride
CID 45053016
N-benzyl-5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 130556985
N-(3,5-dimethylphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 53387374
N-butyl-4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 52794394
N-(3-aminopropyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 119404834

Frequently Asked Questions

What is the IUPAC name of N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propane-1,3-diamine;dihydrochloride?
The IUPAC name of N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propane-1,3-diamine;dihydrochloride (CID 18948824) is N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propane-1,3-diamine;dihydrochloride.
What is the SMILES notation for N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propane-1,3-diamine;dihydrochloride?
The canonical SMILES for N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propane-1,3-diamine;dihydrochloride is Cc1sc(NCCCN)nc1-c1ccccc1.Cl.Cl.
What is the InChIKey of N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propane-1,3-diamine;dihydrochloride?
The InChIKey is VKUOZEVVEAWLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S.2ClH/c1-10-12(11-6-3-2-4-7-11)16-13(17-10)15-9-5-8-14;;/h2-4,6-7H,5,8-9,14H2,1H3,(H,15,16);2*1H.
What are the key properties of N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propane-1,3-diamine;dihydrochloride?
N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propane-1,3-diamine;dihydrochloride has a molecular weight of 320.29 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 18948824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).