4-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)-3-ethyl-1,3-thiazol-2-imine

C21H24N2OS — CID 1037728

IUPAC4-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)-3-ethyl-1,3-thiazol-2-imine
SMILESCCOc1ccc(/N=c2\scc(-c3ccc(C)c(C)c3)n2CC)cc1
InChIInChI=1S/C21H24N2OS/c1-5-23-20(17-8-7-15(3)16(4)13-17)14-25-21(23)22-18-9-11-19(12-10-18)24-6-2/h7-14H,5-6H2,1-4H3/b22-21-
InChIKeyZXODCHCGQQFRMT-DQRAZIAOSA-N
MW352.50 g/mol
LogP5.48
Rot. Bonds5

About 4-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)-3-ethyl-1,3-thiazol-2-imine

4-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)-3-ethyl-1,3-thiazol-2-imine (PubChem CID 1037728) has the molecular formula C21H24N2OS and a molecular weight of 352.50 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)-3-ethyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)-3-ethyl-1,3-thiazol-2-imine
PubChem CID1037728
Molecular FormulaC21H24N2OS
Molecular Weight352.50 g/mol
Exact Mass352.16
IUPAC Name4-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)-3-ethyl-1,3-thiazol-2-imine
SMILESCCOc1ccc(/N=c2\scc(-c3ccc(C)c(C)c3)n2CC)cc1
InChIInChI=1S/C21H24N2OS/c1-5-23-20(17-8-7-15(3)16(4)13-17)14-25-21(23)22-18-9-11-19(12-10-18)24-6-2/h7-14H,5-6H2,1-4H3/b22-21-
InChIKeyZXODCHCGQQFRMT-DQRAZIAOSA-N
XLogP5.48
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.50
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)-3-ethyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)-3-ethyl-1,3-thiazol-2-imine (CID 1037728) is 4-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)-3-ethyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)-3-ethyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)-3-ethyl-1,3-thiazol-2-imine is CCOc1ccc(/N=c2\scc(-c3ccc(C)c(C)c3)n2CC)cc1.
What is the InChIKey of 4-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)-3-ethyl-1,3-thiazol-2-imine?
The InChIKey is ZXODCHCGQQFRMT-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H24N2OS/c1-5-23-20(17-8-7-15(3)16(4)13-17)14-25-21(23)22-18-9-11-19(12-10-18)24-6-2/h7-14H,5-6H2,1-4H3/b22-21-.
What are the key properties of 4-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)-3-ethyl-1,3-thiazol-2-imine?
4-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)-3-ethyl-1,3-thiazol-2-imine has a molecular weight of 352.50 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)-3-ethyl-1,3-thiazol-2-imine is sourced from PubChem (CID 1037728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).