4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine

C22H26N2O2S — CID 23904606

IUPAC4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine
SMILESCOc1ccc(OC)c(-c2cs/c(=N\c3cc(C)ccc3C)n2C(C)C)c1
InChIInChI=1S/C22H26N2O2S/c1-14(2)24-20(18-12-17(25-5)9-10-21(18)26-6)13-27-22(24)23-19-11-15(3)7-8-16(19)4/h7-14H,1-6H3/b23-22-
InChIKeyZQQNDQXNDZJFDG-FCQUAONHSA-N
MW382.53 g/mol
LogP5.66
Rot. Bonds5

About 4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine

4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine (PubChem CID 23904606) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine
PubChem CID23904606
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC Name4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine
SMILESCOc1ccc(OC)c(-c2cs/c(=N\c3cc(C)ccc3C)n2C(C)C)c1
InChIInChI=1S/C22H26N2O2S/c1-14(2)24-20(18-12-17(25-5)9-10-21(18)26-6)13-27-22(24)23-19-11-15(3)7-8-16(19)4/h7-14H,1-6H3/b23-22-
InChIKeyZQQNDQXNDZJFDG-FCQUAONHSA-N
XLogP5.66
TPSA35.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.53
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-propan-2-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

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine (CID 23904606) is 4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine is COc1ccc(OC)c(-c2cs/c(=N\c3cc(C)ccc3C)n2C(C)C)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine?
The InChIKey is ZQQNDQXNDZJFDG-FCQUAONHSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-14(2)24-20(18-12-17(25-5)9-10-21(18)26-6)13-27-22(24)23-19-11-15(3)7-8-16(19)4/h7-14H,1-6H3/b23-22-.
What are the key properties of 4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine?
4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine has a molecular weight of 382.53 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23904606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).