3-[1-(4-fluorophenyl)propylideneamino]-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine

C22H24FN3O3S — CID 23763780

IUPAC3-[1-(4-fluorophenyl)propylideneamino]-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
SMILESCCC(=Nn1c(-c2cc(OC)c(OC)c(OC)c2)cs/c1=N\C)c1ccc(F)cc1
InChIInChI=1S/C22H24FN3O3S/c1-6-17(14-7-9-16(23)10-8-14)25-26-18(13-30-22(26)24-2)15-11-19(27-3)21(29-5)20(12-15)28-4/h7-13H,6H2,1-5H3/b24-22-,25-17?
InChIKeyBXTIUBDYWUIYSH-UXKGWEFQSA-N
MW429.52 g/mol
LogP4.57
Rot. Bonds7

About 3-[1-(4-fluorophenyl)propylideneamino]-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine

3-[1-(4-fluorophenyl)propylideneamino]-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine (PubChem CID 23763780) has the molecular formula C22H24FN3O3S and a molecular weight of 429.52 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)propylideneamino]-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)propylideneamino]-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
PubChem CID23763780
Molecular FormulaC22H24FN3O3S
Molecular Weight429.52 g/mol
Exact Mass429.15
IUPAC Name3-[1-(4-fluorophenyl)propylideneamino]-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
SMILESCCC(=Nn1c(-c2cc(OC)c(OC)c(OC)c2)cs/c1=N\C)c1ccc(F)cc1
InChIInChI=1S/C22H24FN3O3S/c1-6-17(14-7-9-16(23)10-8-14)25-26-18(13-30-22(26)24-2)15-11-19(27-3)21(29-5)20(12-15)28-4/h7-13H,6H2,1-5H3/b24-22-,25-17?
InChIKeyBXTIUBDYWUIYSH-UXKGWEFQSA-N
XLogP4.57
TPSA57.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)propylideneamino]-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-[1-(4-fluorophenyl)propylideneamino]-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine (CID 23763780) is 3-[1-(4-fluorophenyl)propylideneamino]-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[1-(4-fluorophenyl)propylideneamino]-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-[1-(4-fluorophenyl)propylideneamino]-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine is CCC(=Nn1c(-c2cc(OC)c(OC)c(OC)c2)cs/c1=N\C)c1ccc(F)cc1.
What is the InChIKey of 3-[1-(4-fluorophenyl)propylideneamino]-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine?
The InChIKey is BXTIUBDYWUIYSH-UXKGWEFQSA-N. The full InChI is InChI=1S/C22H24FN3O3S/c1-6-17(14-7-9-16(23)10-8-14)25-26-18(13-30-22(26)24-2)15-11-19(27-3)21(29-5)20(12-15)28-4/h7-13H,6H2,1-5H3/b24-22-,25-17?.
What are the key properties of 3-[1-(4-fluorophenyl)propylideneamino]-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine?
3-[1-(4-fluorophenyl)propylideneamino]-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine has a molecular weight of 429.52 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)propylideneamino]-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23763780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).