4-(4-fluorophenyl)-N-methyl-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine

C20H20FN3O3S — CID 2387572

IUPAC4-(4-fluorophenyl)-N-methyl-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C20H20FN3O3S/c1-22-20-24(16(12-28-20)13-5-8-15(21)9-6-13)23-11-14-7-10-17(25-2)19(27-4)18(14)26-3/h5-12H,1-4H3/b22-20-,23-11?
InChIKeyFMCUTBPXMHNXTD-LEQNMTDOSA-N
MW401.46 g/mol
LogP3.79
Rot. Bonds6

About 4-(4-fluorophenyl)-N-methyl-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine

4-(4-fluorophenyl)-N-methyl-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 2387572) has the molecular formula C20H20FN3O3S and a molecular weight of 401.46 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-methyl-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-methyl-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
PubChem CID2387572
Molecular FormulaC20H20FN3O3S
Molecular Weight401.46 g/mol
Exact Mass401.12
IUPAC Name4-(4-fluorophenyl)-N-methyl-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C20H20FN3O3S/c1-22-20-24(16(12-28-20)13-5-8-15(21)9-6-13)23-11-14-7-10-17(25-2)19(27-4)18(14)26-3/h5-12H,1-4H3/b22-20-,23-11?
InChIKeyFMCUTBPXMHNXTD-LEQNMTDOSA-N
XLogP3.79
TPSA57.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4-[[[4-(2-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]amino]methylidene]-2,3-dihydroxycyclohexa-2,5-dien-1-one
CID 135510264
(E)-4-(2,4-dimethoxyphenyl)-3-[(E)-1-(4-methoxyphenyl)ethylideneamino]-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 9608901
(E)-N-cyclohexyl-4-methyl-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 71761266
4-[(E)-[4-[4-(difluoromethoxy)phenyl]-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
CID 135613889
3-[[4-[4-(Difluoromethoxy)phenyl]-2-methylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 3612726
(E)-3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
CID 6903181
(E)-3-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-ethyl-4-(2-fluorophenyl)-1,3-thiazol-2-imine
CID 9560799
4-[4-(difluoromethoxy)phenyl]-N-methyl-3-[(2,4,6-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 2339689
4-[4-(difluoromethoxy)phenyl]-N-methyl-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 2366484
3-(1,3-benzodioxol-5-ylmethylideneamino)-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
CID 2377110
4-(4-fluorophenyl)-N-methyl-3-[(2,4,6-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 2383719
3-(1,3-benzodioxol-5-ylmethylideneamino)-4-[4-(difluoromethoxy)phenyl]-N-ethyl-1,3-thiazol-2-imine
CID 2390689

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-methyl-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-fluorophenyl)-N-methyl-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine (CID 2387572) is 4-(4-fluorophenyl)-N-methyl-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-methyl-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-fluorophenyl)-N-methyl-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1ccc(OC)c(OC)c1OC.
What is the InChIKey of 4-(4-fluorophenyl)-N-methyl-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is FMCUTBPXMHNXTD-LEQNMTDOSA-N. The full InChI is InChI=1S/C20H20FN3O3S/c1-22-20-24(16(12-28-20)13-5-8-15(21)9-6-13)23-11-14-7-10-17(25-2)19(27-4)18(14)26-3/h5-12H,1-4H3/b22-20-,23-11?.
What are the key properties of 4-(4-fluorophenyl)-N-methyl-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine?
4-(4-fluorophenyl)-N-methyl-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 401.46 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-methyl-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 2387572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).