4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine

C22H24N2O2S — CID 23995723

IUPAC4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CCn1c(-c2cc(OC)ccc2OC)cs/c1=N\c1cc(C)ccc1C
InChIInChI=1S/C22H24N2O2S/c1-6-11-24-20(18-13-17(25-4)9-10-21(18)26-5)14-27-22(24)23-19-12-15(2)7-8-16(19)3/h6-10,12-14H,1,11H2,2-5H3/b23-22-
InChIKeyUGKARDQRIJMUGF-FCQUAONHSA-N
MW380.51 g/mol
LogP5.27
Rot. Bonds6

About 4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine

4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine (PubChem CID 23995723) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine
PubChem CID23995723
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CCn1c(-c2cc(OC)ccc2OC)cs/c1=N\c1cc(C)ccc1C
InChIInChI=1S/C22H24N2O2S/c1-6-11-24-20(18-13-17(25-4)9-10-21(18)26-5)14-27-22(24)23-19-12-15(2)7-8-16(19)3/h6-10,12-14H,1,11H2,2-5H3/b23-22-
InChIKeyUGKARDQRIJMUGF-FCQUAONHSA-N
XLogP5.27
TPSA35.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine (CID 23995723) is 4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine is C=CCn1c(-c2cc(OC)ccc2OC)cs/c1=N\c1cc(C)ccc1C.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine?
The InChIKey is UGKARDQRIJMUGF-FCQUAONHSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-6-11-24-20(18-13-17(25-4)9-10-21(18)26-5)14-27-22(24)23-19-12-15(2)7-8-16(19)3/h6-10,12-14H,1,11H2,2-5H3/b23-22-.
What are the key properties of 4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine?
4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine has a molecular weight of 380.51 g/mol, XLogP of 5.27, 6 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-prop-2-enyl-1,3-thiazol-2-imine is sourced from PubChem (CID 23995723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).