4-(2,5-dichlorophenyl)-N-(4-fluorophenyl)-3-(furan-2-ylmethylideneamino)-1,3-thiazol-2-imine

C20H12Cl2FN3OS — CID 23992503

IUPAC4-(2,5-dichlorophenyl)-N-(4-fluorophenyl)-3-(furan-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESFc1ccc(/N=c2\scc(-c3cc(Cl)ccc3Cl)n2N=Cc2ccco2)cc1
InChIInChI=1S/C20H12Cl2FN3OS/c21-13-3-8-18(22)17(10-13)19-12-28-20(25-15-6-4-14(23)5-7-15)26(19)24-11-16-2-1-9-27-16/h1-12H/b24-11?,25-20-
InChIKeyURYHKEIJPTXCAV-OGNRGYFLSA-N
MW432.31 g/mol
LogP6.37
Rot. Bonds4

About 4-(2,5-dichlorophenyl)-N-(4-fluorophenyl)-3-(furan-2-ylmethylideneamino)-1,3-thiazol-2-imine

4-(2,5-dichlorophenyl)-N-(4-fluorophenyl)-3-(furan-2-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 23992503) has the molecular formula C20H12Cl2FN3OS and a molecular weight of 432.31 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)-N-(4-fluorophenyl)-3-(furan-2-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)-N-(4-fluorophenyl)-3-(furan-2-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID23992503
Molecular FormulaC20H12Cl2FN3OS
Molecular Weight432.31 g/mol
Exact Mass431.01
IUPAC Name4-(2,5-dichlorophenyl)-N-(4-fluorophenyl)-3-(furan-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESFc1ccc(/N=c2\scc(-c3cc(Cl)ccc3Cl)n2N=Cc2ccco2)cc1
InChIInChI=1S/C20H12Cl2FN3OS/c21-13-3-8-18(22)17(10-13)19-12-28-20(25-15-6-4-14(23)5-7-15)26(19)24-11-16-2-1-9-27-16/h1-12H/b24-11?,25-20-
InChIKeyURYHKEIJPTXCAV-OGNRGYFLSA-N
XLogP6.37
TPSA42.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.31
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-dichlorophenyl)-N-(2-fluorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23761219
4-[[2-(4-fluorophenyl)imino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135832353
4-(2,5-dichlorophenyl)-N-ethyl-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23906200
4-(2-fluorophenyl)-N-(4-fluorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23790253
4-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135798931
N-(4-fluorophenyl)-4-(furan-2-yl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 23822766
N,4-bis(4-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23989016
4-(2,5-dichlorophenyl)-N-methyl-3-[(2,4,6-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 23879515
4-(2-chlorophenyl)-3-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-1,3-thiazol-2-imine
CID 2322788
4-[[4-(2,5-dichlorophenyl)-2-ethylimino-1,3-thiazol-3-yl]iminomethyl]benzonitrile
CID 23857230
4-[[4-(2,5-dichlorophenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]iminomethyl]benzene-1,2,3-triol
CID 135798839
N-(3,4-dichlorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23795166

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)-N-(4-fluorophenyl)-3-(furan-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of 4-(2,5-dichlorophenyl)-N-(4-fluorophenyl)-3-(furan-2-ylmethylideneamino)-1,3-thiazol-2-imine (CID 23992503) is 4-(2,5-dichlorophenyl)-N-(4-fluorophenyl)-3-(furan-2-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2,5-dichlorophenyl)-N-(4-fluorophenyl)-3-(furan-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2,5-dichlorophenyl)-N-(4-fluorophenyl)-3-(furan-2-ylmethylideneamino)-1,3-thiazol-2-imine is Fc1ccc(/N=c2\scc(-c3cc(Cl)ccc3Cl)n2N=Cc2ccco2)cc1.
What is the InChIKey of 4-(2,5-dichlorophenyl)-N-(4-fluorophenyl)-3-(furan-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is URYHKEIJPTXCAV-OGNRGYFLSA-N. The full InChI is InChI=1S/C20H12Cl2FN3OS/c21-13-3-8-18(22)17(10-13)19-12-28-20(25-15-6-4-14(23)5-7-15)26(19)24-11-16-2-1-9-27-16/h1-12H/b24-11?,25-20-.
What are the key properties of 4-(2,5-dichlorophenyl)-N-(4-fluorophenyl)-3-(furan-2-ylmethylideneamino)-1,3-thiazol-2-imine?
4-(2,5-dichlorophenyl)-N-(4-fluorophenyl)-3-(furan-2-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 432.31 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)-N-(4-fluorophenyl)-3-(furan-2-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23992503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).