(E)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-(4-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine

C21H19F2N3O2S — CID 6902463

IUPAC(E)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-(4-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccc(OC)cc2)n1/N=C/c1ccc(OC(F)F)cc1
InChIInChI=1S/C21H19F2N3O2S/c1-3-12-24-21-26(19(14-29-21)16-6-10-17(27-2)11-7-16)25-13-15-4-8-18(9-5-15)28-20(22)23/h3-11,13-14,20H,1,12H2,2H3/b24-21-,25-13+
InChIKeyKOLBWUMLHCVSKX-AUUZORCYSA-N
MW415.47 g/mol
LogP4.80
Rot. Bonds8

About (E)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-(4-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine

(E)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-(4-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine (PubChem CID 6902463) has the molecular formula C21H19F2N3O2S and a molecular weight of 415.47 g/mol. Its IUPAC name is (E)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-(4-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-(4-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
PubChem CID6902463
Molecular FormulaC21H19F2N3O2S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Name(E)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-(4-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccc(OC)cc2)n1/N=C/c1ccc(OC(F)F)cc1
InChIInChI=1S/C21H19F2N3O2S/c1-3-12-24-21-26(19(14-29-21)16-6-10-17(27-2)11-7-16)25-13-15-4-8-18(9-5-15)28-20(22)23/h3-11,13-14,20H,1,12H2,2H3/b24-21-,25-13+
InChIKeyKOLBWUMLHCVSKX-AUUZORCYSA-N
XLogP4.80
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-(4-methoxyphenyl)-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 (E)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-(4-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine?
The IUPAC name of (E)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-(4-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine (CID 6902463) is (E)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-(4-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-(4-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine?
The canonical SMILES for (E)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-(4-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine is C=CC/N=c1\scc(-c2ccc(OC)cc2)n1/N=C/c1ccc(OC(F)F)cc1.
What is the InChIKey of (E)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-(4-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine?
The InChIKey is KOLBWUMLHCVSKX-AUUZORCYSA-N. The full InChI is InChI=1S/C21H19F2N3O2S/c1-3-12-24-21-26(19(14-29-21)16-6-10-17(27-2)11-7-16)25-13-15-4-8-18(9-5-15)28-20(22)23/h3-11,13-14,20H,1,12H2,2H3/b24-21-,25-13+.
What are the key properties of (E)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-(4-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine?
(E)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-(4-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine has a molecular weight of 415.47 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-(4-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine is sourced from PubChem (CID 6902463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).