N-(2,5-dimethylphenyl)-4-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine

C19H21N3S — CID 23826269

IUPACN-(2,5-dimethylphenyl)-4-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine
SMILESCc1ccc(C)c(/N=c2\scc(C)n2CCc2ccccn2)c1
InChIInChI=1S/C19H21N3S/c1-14-7-8-15(2)18(12-14)21-19-22(16(3)13-23-19)11-9-17-6-4-5-10-20-17/h4-8,10,12-13H,9,11H2,1-3H3/b21-19-
InChIKeyYQMOLSWVJVSUQU-VZCXRCSSSA-N
MW323.47 g/mol
LogP4.34
Rot. Bonds4

About N-(2,5-dimethylphenyl)-4-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine

N-(2,5-dimethylphenyl)-4-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine (PubChem CID 23826269) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine
PubChem CID23826269
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC NameN-(2,5-dimethylphenyl)-4-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine
SMILESCc1ccc(C)c(/N=c2\scc(C)n2CCc2ccccn2)c1
InChIInChI=1S/C19H21N3S/c1-14-7-8-15(2)18(12-14)21-19-22(16(3)13-23-19)11-9-17-6-4-5-10-20-17/h4-8,10,12-13H,9,11H2,1-3H3/b21-19-
InChIKeyYQMOLSWVJVSUQU-VZCXRCSSSA-N
XLogP4.34
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,5-dimethylphenyl)-4-methyl-3-(2-pyridin-2-ylethyl)-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

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine?
The IUPAC name of N-(2,5-dimethylphenyl)-4-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine (CID 23826269) is N-(2,5-dimethylphenyl)-4-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine is Cc1ccc(C)c(/N=c2\scc(C)n2CCc2ccccn2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine?
The InChIKey is YQMOLSWVJVSUQU-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H21N3S/c1-14-7-8-15(2)18(12-14)21-19-22(16(3)13-23-19)11-9-17-6-4-5-10-20-17/h4-8,10,12-13H,9,11H2,1-3H3/b21-19-.
What are the key properties of N-(2,5-dimethylphenyl)-4-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine?
N-(2,5-dimethylphenyl)-4-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine has a molecular weight of 323.47 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23826269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).