3-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine

C20H18FN3S — CID 2338989

IUPAC3-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccc(C)cc2)n1N=Cc1ccc(F)cc1
InChIInChI=1S/C20H18FN3S/c1-3-12-22-20-24(23-13-16-6-10-18(21)11-7-16)19(14-25-20)17-8-4-15(2)5-9-17/h3-11,13-14H,1,12H2,2H3/b22-20-,23-13?
InChIKeyYCBRHWIDLDKBMX-JKSDFIRWSA-N
MW351.45 g/mol
LogP4.63
Rot. Bonds5

About 3-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine

3-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine (PubChem CID 2338989) has the molecular formula C20H18FN3S and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
PubChem CID2338989
Molecular FormulaC20H18FN3S
Molecular Weight351.45 g/mol
Exact Mass351.12
IUPAC Name3-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccc(C)cc2)n1N=Cc1ccc(F)cc1
InChIInChI=1S/C20H18FN3S/c1-3-12-22-20-24(23-13-16-6-10-18(21)11-7-16)19(14-25-20)17-8-4-15(2)5-9-17/h3-11,13-14H,1,12H2,2H3/b22-20-,23-13?
InChIKeyYCBRHWIDLDKBMX-JKSDFIRWSA-N
XLogP4.63
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-N-prop-2-enyl-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

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine?
The IUPAC name of 3-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine (CID 2338989) is 3-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine?
The canonical SMILES for 3-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine is C=CC/N=c1\scc(-c2ccc(C)cc2)n1N=Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine?
The InChIKey is YCBRHWIDLDKBMX-JKSDFIRWSA-N. The full InChI is InChI=1S/C20H18FN3S/c1-3-12-22-20-24(23-13-16-6-10-18(21)11-7-16)19(14-25-20)17-8-4-15(2)5-9-17/h3-11,13-14H,1,12H2,2H3/b22-20-,23-13?.
What are the key properties of 3-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine?
3-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine has a molecular weight of 351.45 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine is sourced from PubChem (CID 2338989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).