4-[4-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-(2,4-dimethylphenyl)-1,3-thiazol-2-imine

C26H21F4N3O2S — CID 4848233

IUPAC4-[4-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-(2,4-dimethylphenyl)-1,3-thiazol-2-imine
SMILESCc1ccc(/N=c2\scc(-c3ccc(OC(F)F)cc3)n2N=Cc2ccc(OC(F)F)cc2)c(C)c1
InChIInChI=1S/C26H21F4N3O2S/c1-16-3-12-22(17(2)13-16)32-26-33(31-14-18-4-8-20(9-5-18)34-24(27)28)23(15-36-26)19-6-10-21(11-7-19)35-25(29)30/h3-15,24-25H,1-2H3/b31-14?,32-26-
InChIKeyJPUJLBKIRXKDQP-BMZIOOJPSA-N
MW515.53 g/mol
LogP7.15
Rot. Bonds8

About 4-[4-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-(2,4-dimethylphenyl)-1,3-thiazol-2-imine

4-[4-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-(2,4-dimethylphenyl)-1,3-thiazol-2-imine (PubChem CID 4848233) has the molecular formula C26H21F4N3O2S and a molecular weight of 515.53 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-(2,4-dimethylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-(2,4-dimethylphenyl)-1,3-thiazol-2-imine
PubChem CID4848233
Molecular FormulaC26H21F4N3O2S
Molecular Weight515.53 g/mol
Exact Mass515.13
IUPAC Name4-[4-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-(2,4-dimethylphenyl)-1,3-thiazol-2-imine
SMILESCc1ccc(/N=c2\scc(-c3ccc(OC(F)F)cc3)n2N=Cc2ccc(OC(F)F)cc2)c(C)c1
InChIInChI=1S/C26H21F4N3O2S/c1-16-3-12-22(17(2)13-16)32-26-33(31-14-18-4-8-20(9-5-18)34-24(27)28)23(15-36-26)19-6-10-21(11-7-19)35-25(29)30/h3-15,24-25H,1-2H3/b31-14?,32-26-
InChIKeyJPUJLBKIRXKDQP-BMZIOOJPSA-N
XLogP7.15
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.53
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[4-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-(2,4-dimethylphenyl)-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 4-[4-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-(2,4-dimethylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 4-[4-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-(2,4-dimethylphenyl)-1,3-thiazol-2-imine (CID 4848233) is 4-[4-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-(2,4-dimethylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-(2,4-dimethylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-[4-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-(2,4-dimethylphenyl)-1,3-thiazol-2-imine is Cc1ccc(/N=c2\scc(-c3ccc(OC(F)F)cc3)n2N=Cc2ccc(OC(F)F)cc2)c(C)c1.
What is the InChIKey of 4-[4-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-(2,4-dimethylphenyl)-1,3-thiazol-2-imine?
The InChIKey is JPUJLBKIRXKDQP-BMZIOOJPSA-N. The full InChI is InChI=1S/C26H21F4N3O2S/c1-16-3-12-22(17(2)13-16)32-26-33(31-14-18-4-8-20(9-5-18)34-24(27)28)23(15-36-26)19-6-10-21(11-7-19)35-25(29)30/h3-15,24-25H,1-2H3/b31-14?,32-26-.
What are the key properties of 4-[4-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-(2,4-dimethylphenyl)-1,3-thiazol-2-imine?
4-[4-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-(2,4-dimethylphenyl)-1,3-thiazol-2-imine has a molecular weight of 515.53 g/mol, XLogP of 7.15, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-(2,4-dimethylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 4848233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).