4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine

C19H19F2N3O2S2 — CID 2369266

IUPAC4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESCOCC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1N=Cc1ccc(C)s1
InChIInChI=1S/C19H19F2N3O2S2/c1-13-3-8-16(28-13)11-23-24-17(12-27-19(24)22-9-10-25-2)14-4-6-15(7-5-14)26-18(20)21/h3-8,11-12,18H,9-10H2,1-2H3/b22-19-,23-11?
InChIKeyGGJJMWSIXUJSEH-ZPHUFRHYSA-N
MW423.51 g/mol
LogP4.62
Rot. Bonds8

About 4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine

4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 2369266) has the molecular formula C19H19F2N3O2S2 and a molecular weight of 423.51 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
PubChem CID2369266
Molecular FormulaC19H19F2N3O2S2
Molecular Weight423.51 g/mol
Exact Mass423.09
IUPAC Name4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESCOCC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1N=Cc1ccc(C)s1
InChIInChI=1S/C19H19F2N3O2S2/c1-13-3-8-16(28-13)11-23-24-17(12-27-19(24)22-9-10-25-2)14-4-6-15(7-5-14)26-18(20)21/h3-8,11-12,18H,9-10H2,1-2H3/b22-19-,23-11?
InChIKeyGGJJMWSIXUJSEH-ZPHUFRHYSA-N
XLogP4.62
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-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]-N-(2-methoxyethyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of 4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine (CID 2369266) is 4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for 4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine is COCC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1N=Cc1ccc(C)s1.
What is the InChIKey of 4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is GGJJMWSIXUJSEH-ZPHUFRHYSA-N. The full InChI is InChI=1S/C19H19F2N3O2S2/c1-13-3-8-16(28-13)11-23-24-17(12-27-19(24)22-9-10-25-2)14-4-6-15(7-5-14)26-18(20)21/h3-8,11-12,18H,9-10H2,1-2H3/b22-19-,23-11?.
What are the key properties of 4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 423.51 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 2369266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).