4-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine

C20H12Cl2F2N4S — CID 135798931

IUPAC4-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESFc1ccc(/N=c2\scc(-c3ccc(Cl)cc3Cl)n2N=Cc2ccc[nH]2)c(F)c1
InChIInChI=1S/C20H12Cl2F2N4S/c21-12-3-5-15(16(22)8-12)19-11-29-20(27-18-6-4-13(23)9-17(18)24)28(19)26-10-14-2-1-7-25-14/h1-11,25H/b26-10?,27-20-
InChIKeyMWJSTSCOQLEEEC-GMPRNEFLSA-N
MW449.31 g/mol
LogP6.24
Rot. Bonds4

About 4-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine

4-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 135798931) has the molecular formula C20H12Cl2F2N4S and a molecular weight of 449.31 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID135798931
Molecular FormulaC20H12Cl2F2N4S
Molecular Weight449.31 g/mol
Exact Mass448.01
IUPAC Name4-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESFc1ccc(/N=c2\scc(-c3ccc(Cl)cc3Cl)n2N=Cc2ccc[nH]2)c(F)c1
InChIInChI=1S/C20H12Cl2F2N4S/c21-12-3-5-15(16(22)8-12)19-11-29-20(27-18-6-4-13(23)9-17(18)24)28(19)26-10-14-2-1-7-25-14/h1-11,25H/b26-10?,27-20-
InChIKeyMWJSTSCOQLEEEC-GMPRNEFLSA-N
XLogP6.24
TPSA45.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.31
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-difluorophenyl)-4-(2,5-dimethoxyphenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135759349
4-(4-fluorophenyl)-N-methyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135721992
N-(2,4-dimethylphenyl)-4-(4-methylphenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135600778
4-(2,5-dichlorophenyl)-N-(4-fluorophenyl)-3-(furan-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23992503
(E)-3-[(E)-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-(2,4-difluorophenyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-imine
CID 6906394
N-(3,4-dichlorophenyl)-4-(4-nitrophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135847481
2-[[2-(2,4-difluorophenyl)imino-4-(2,5-dimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]-4-methoxyphenol
CID 135709905
2-[[4-(1-benzofuran-2-yl)-2-(2,4-difluorophenyl)imino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135554074
4-bromo-2-[[4-(2,4-dichlorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135769185
4-(2,5-dichlorophenyl)-N-(2-fluorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23761219
4-(2,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 2431698
4-[[4-(2,4-dichlorophenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
CID 135693029

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of 4-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine (CID 135798931) is 4-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine is Fc1ccc(/N=c2\scc(-c3ccc(Cl)cc3Cl)n2N=Cc2ccc[nH]2)c(F)c1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is MWJSTSCOQLEEEC-GMPRNEFLSA-N. The full InChI is InChI=1S/C20H12Cl2F2N4S/c21-12-3-5-15(16(22)8-12)19-11-29-20(27-18-6-4-13(23)9-17(18)24)28(19)26-10-14-2-1-7-25-14/h1-11,25H/b26-10?,27-20-.
What are the key properties of 4-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine?
4-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 449.31 g/mol, XLogP of 6.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 135798931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).