3-tert-butyl-N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine

C22H26N2O2S — CID 18813030

IUPAC3-tert-butyl-N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine
SMILESCCOc1ccc(/N=c2\scc(-c3ccc(OC)cc3)n2C(C)(C)C)cc1
InChIInChI=1S/C22H26N2O2S/c1-6-26-19-13-9-17(10-14-19)23-21-24(22(2,3)4)20(15-27-21)16-7-11-18(25-5)12-8-16/h7-15H,6H2,1-5H3/b23-21-
InChIKeyIZPKWKXUOJLJIP-LNVKXUELSA-N
MW382.53 g/mol
LogP5.61
Rot. Bonds5

About 3-tert-butyl-N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine

3-tert-butyl-N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine (PubChem CID 18813030) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is 3-tert-butyl-N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-tert-butyl-N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine
PubChem CID18813030
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC Name3-tert-butyl-N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine
SMILESCCOc1ccc(/N=c2\scc(-c3ccc(OC)cc3)n2C(C)(C)C)cc1
InChIInChI=1S/C22H26N2O2S/c1-6-26-19-13-9-17(10-14-19)23-21-24(22(2,3)4)20(15-27-21)16-7-11-18(25-5)12-8-16/h7-15H,6H2,1-5H3/b23-21-
InChIKeyIZPKWKXUOJLJIP-LNVKXUELSA-N
XLogP5.61
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 ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-tert-butyl-N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-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

3-tert-butyl-4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-imine
CID 3744406
3-tert-butyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
CID 18813263
4-[4-(azepan-1-ylsulfonyl)phenyl]-3-tert-butyl-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 18812808
N-(4-ethoxyphenyl)-3-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-imine
CID 18812902
4-(4-chlorophenyl)-N,3-bis(4-ethoxyphenyl)-1,3-thiazol-2-imine
CID 18812994
N-(4-ethoxyphenyl)-3-methyl-4-naphthalen-2-yl-1,3-thiazol-2-imine
CID 4990140
2-[2-(4-ethoxyphenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
CID 138392628
2-[4-(4-chlorophenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazol-3-yl]ethanol
CID 979063
2-[2-(4-chlorophenyl)imino-4-(4-ethoxyphenyl)-1,3-thiazol-3-yl]ethanol
CID 51370288
4-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)-3-ethyl-1,3-thiazol-2-imine
CID 1037728
N-(4-fluorophenyl)-3-hexyl-4-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 44761956
N,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine
CID 3743621

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-tert-butyl-N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine (CID 18813030) is 3-tert-butyl-N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-tert-butyl-N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-tert-butyl-N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine is CCOc1ccc(/N=c2\scc(-c3ccc(OC)cc3)n2C(C)(C)C)cc1.
What is the InChIKey of 3-tert-butyl-N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine?
The InChIKey is IZPKWKXUOJLJIP-LNVKXUELSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-6-26-19-13-9-17(10-14-19)23-21-24(22(2,3)4)20(15-27-21)16-7-11-18(25-5)12-8-16/h7-15H,6H2,1-5H3/b23-21-.
What are the key properties of 3-tert-butyl-N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine?
3-tert-butyl-N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine has a molecular weight of 382.53 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 18813030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).