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

C21H23ClN2OS — CID 3744406

IUPAC3-tert-butyl-4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-imine
SMILESCCOc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2C(C)(C)C)cc1
InChIInChI=1S/C21H23ClN2OS/c1-5-25-18-12-10-17(11-13-18)23-20-24(21(2,3)4)19(14-26-20)15-6-8-16(22)9-7-15/h6-14H,5H2,1-4H3/b23-20-
InChIKeyOMYZEVXTUCZAKX-ATJXCDBQSA-N
MW386.95 g/mol
LogP6.26
Rot. Bonds4

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

3-tert-butyl-4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-imine (PubChem CID 3744406) has the molecular formula C21H23ClN2OS and a molecular weight of 386.95 g/mol. Its IUPAC name is 3-tert-butyl-4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-tert-butyl-4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-imine
PubChem CID3744406
Molecular FormulaC21H23ClN2OS
Molecular Weight386.95 g/mol
Exact Mass386.12
IUPAC Name3-tert-butyl-4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-imine
SMILESCCOc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2C(C)(C)C)cc1
InChIInChI=1S/C21H23ClN2OS/c1-5-25-18-12-10-17(11-13-18)23-20-24(21(2,3)4)19(14-26-20)15-6-8-16(22)9-7-15/h6-14H,5H2,1-4H3/b23-20-
InChIKeyOMYZEVXTUCZAKX-ATJXCDBQSA-N
XLogP6.26
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.95
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 18813030
4-(4-chlorophenyl)-N,3-bis(4-ethoxyphenyl)-1,3-thiazol-2-imine
CID 18812994
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
3-tert-butyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
CID 18813263
4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide
CID 45145106
N-(4-ethoxyphenyl)-3-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-imine
CID 18812902
N,4-bis(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-imine;hydrobromide
CID 45125365
2-[2-(4-ethoxyphenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
CID 138392628
4-(4-chlorophenyl)-3-[(4-ethoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 4286455
N-(4-ethoxyphenyl)-3-methyl-4-naphthalen-2-yl-1,3-thiazol-2-imine
CID 4990140
4-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)-3-ethyl-1,3-thiazol-2-imine
CID 1037728

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-tert-butyl-4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-imine (CID 3744406) is 3-tert-butyl-4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-tert-butyl-4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-tert-butyl-4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-imine is CCOc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2C(C)(C)C)cc1.
What is the InChIKey of 3-tert-butyl-4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-imine?
The InChIKey is OMYZEVXTUCZAKX-ATJXCDBQSA-N. The full InChI is InChI=1S/C21H23ClN2OS/c1-5-25-18-12-10-17(11-13-18)23-20-24(21(2,3)4)19(14-26-20)15-6-8-16(22)9-7-15/h6-14H,5H2,1-4H3/b23-20-.
What are the key properties of 3-tert-butyl-4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-imine?
3-tert-butyl-4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-imine has a molecular weight of 386.95 g/mol, XLogP of 6.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 3744406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).