4-(3,4-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine

C22H23N5S — CID 3911113

IUPAC4-(3,4-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
SMILESCc1ccc(-c2cs/c(=N\c3cccnc3)n2CCCn2ccnc2)cc1C
InChIInChI=1S/C22H23N5S/c1-17-6-7-19(13-18(17)2)21-15-28-22(25-20-5-3-8-23-14-20)27(21)11-4-10-26-12-9-24-16-26/h3,5-9,12-16H,4,10-11H2,1-2H3/b25-22-
InChIKeyMPCUQHIXOGXGKI-LVWGJNHUSA-N
MW389.53 g/mol
LogP4.75
Rot. Bonds6

About 4-(3,4-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine

4-(3,4-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine (PubChem CID 3911113) has the molecular formula C22H23N5S and a molecular weight of 389.53 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
PubChem CID3911113
Molecular FormulaC22H23N5S
Molecular Weight389.53 g/mol
Exact Mass389.17
IUPAC Name4-(3,4-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
SMILESCc1ccc(-c2cs/c(=N\c3cccnc3)n2CCCn2ccnc2)cc1C
InChIInChI=1S/C22H23N5S/c1-17-6-7-19(13-18(17)2)21-15-28-22(25-20-5-3-8-23-14-20)27(21)11-4-10-26-12-9-24-16-26/h3,5-9,12-16H,4,10-11H2,1-2H3/b25-22-
InChIKeyMPCUQHIXOGXGKI-LVWGJNHUSA-N
XLogP4.75
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Analyze 4-(3,4-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine 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

Foropafant
CID 119368
6-(4-Fluorophenyl)-2,3-dihydro-5-(4-pyridinyl)imidazo(2,1-b)thiazole
CID 5228
1-Phenyl-3-p-tolyl-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium
CID 2873568
7-Phenyl-6-p-tolyl-2,3-dihydro-imidazo[2,1-b]thiazol-7-ium
CID 16682235
7-[(Imidazol-1-yl)methyl]isoquinoline
CID 10750911
5,7-dimethyl-2-((1-methyl-4-phenyl-1H-imidazol-2-ylthio)methyl)imidazo[1,2-a]pyrimidine
CID 44548780
2-methylbenzyl 1-phenyl-1H-imidazol-2-yl sulfide
CID 1477494
4-ethylbenzyl 1-phenyl-1H-imidazol-2-yl sulfide
CID 1477535
N,N-diethyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine
CID 10043599
4-[5-(4-Fluorophenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridine
CID 10066478
4-[5-(4-Fluorophenyl)-3-(3-methylsulfanylpropyl)imidazol-4-yl]pyridine
CID 10087844
N-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylpropan-1-amine
CID 10250393

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
The IUPAC name of 4-(3,4-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine (CID 3911113) is 4-(3,4-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(3,4-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine is Cc1ccc(-c2cs/c(=N\c3cccnc3)n2CCCn2ccnc2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
The InChIKey is MPCUQHIXOGXGKI-LVWGJNHUSA-N. The full InChI is InChI=1S/C22H23N5S/c1-17-6-7-19(13-18(17)2)21-15-28-22(25-20-5-3-8-23-14-20)27(21)11-4-10-26-12-9-24-16-26/h3,5-9,12-16H,4,10-11H2,1-2H3/b25-22-.
What are the key properties of 4-(3,4-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
4-(3,4-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine has a molecular weight of 389.53 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 3911113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).