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

C19H17F2N3O2S — CID 2479347

IUPAC4-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1N=Cc1ccc(OC)cc1
InChIInChI=1S/C19H17F2N3O2S/c1-22-19-24(23-11-13-3-7-15(25-2)8-4-13)17(12-27-19)14-5-9-16(10-6-14)26-18(20)21/h3-12,18H,1-2H3/b22-19-,23-11?
InChIKeyHUTHFJCWMNKCJX-ZPHUFRHYSA-N
MW389.43 g/mol
LogP4.24
Rot. Bonds6

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

4-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine (PubChem CID 2479347) has the molecular formula C19H17F2N3O2S and a molecular weight of 389.43 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
PubChem CID2479347
Molecular FormulaC19H17F2N3O2S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name4-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1N=Cc1ccc(OC)cc1
InChIInChI=1S/C19H17F2N3O2S/c1-22-19-24(23-11-13-3-7-15(25-2)8-4-13)17(12-27-19)14-5-9-16(10-6-14)26-18(20)21/h3-12,18H,1-2H3/b22-19-,23-11?
InChIKeyHUTHFJCWMNKCJX-ZPHUFRHYSA-N
XLogP4.24
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.24
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-methoxyphenyl)methylideneamino]-N-methyl-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

Related Compounds

(E)-3-[(E)-(2-bromophenyl)methylideneamino]-4-[4-(difluoromethoxy)phenyl]-N-methyl-1,3-thiazol-2-imine
CID 6903475
(E)-4-[4-(difluoromethoxy)phenyl]-N-methyl-3-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6903740
(E)-4-[4-(difluoromethoxy)phenyl]-N-methyl-3-[(E)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6904028
(E)-4-[4-(difluoromethoxy)phenyl]-N-(4-methoxyphenyl)-3-[(E)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6905360
(E)-4-(2,4-dimethoxyphenyl)-3-[(E)-1-(4-methoxyphenyl)ethylideneamino]-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 9608901
2-[5-(4-Methoxyphenyl)-3-phenyl-2-pyrazolinyl]-1,3-thiazolin-4-one
CID 42604758
2-[3-(4-Fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 57395724
2-[3,5-Bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 57400955
(E)-1-(4-fluorophenyl)-N-[5-(4-methoxyphenyl)-4H-1,3,4-thiadiazin-2-yl]methanimine;hydrobromide
CID 56642830
(2Z,NE)-N-benzylidene-4-(3,4-dimethoxyphenyl)-2-(phenylimino)thiazol-3(2H)-amine
CID 6882342
4-[(E)-[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile
CID 6903264
(E)-4-[4-(difluoromethoxy)phenyl]-3-[(E)-(2-fluorophenyl)methylideneamino]-N-(2-methoxyethyl)-1,3-thiazol-2-imine
CID 6906077

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine?
The IUPAC name of 4-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine (CID 2479347) is 4-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccc(OC(F)F)cc2)n1N=Cc1ccc(OC)cc1.
What is the InChIKey of 4-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine?
The InChIKey is HUTHFJCWMNKCJX-ZPHUFRHYSA-N. The full InChI is InChI=1S/C19H17F2N3O2S/c1-22-19-24(23-11-13-3-7-15(25-2)8-4-13)17(12-27-19)14-5-9-16(10-6-14)26-18(20)21/h3-12,18H,1-2H3/b22-19-,23-11?.
What are the key properties of 4-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine?
4-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine has a molecular weight of 389.43 g/mol, XLogP of 4.24, 6 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-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 2479347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).