4-(2,5-dichlorophenyl)-N-methyl-3-[(2,4,6-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine

C20H19Cl2N3O3S — CID 23879515

IUPAC4-(2,5-dichlorophenyl)-N-methyl-3-[(2,4,6-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2cc(Cl)ccc2Cl)n1N=Cc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C20H19Cl2N3O3S/c1-23-20-25(17(11-29-20)14-7-12(21)5-6-16(14)22)24-10-15-18(27-3)8-13(26-2)9-19(15)28-4/h5-11H,1-4H3/b23-20-,24-10?
InChIKeyPEOQMTKGUFVMHV-AUSURFIWSA-N
MW452.36 g/mol
LogP4.96
Rot. Bonds6

About 4-(2,5-dichlorophenyl)-N-methyl-3-[(2,4,6-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine

4-(2,5-dichlorophenyl)-N-methyl-3-[(2,4,6-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 23879515) has the molecular formula C20H19Cl2N3O3S and a molecular weight of 452.36 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)-N-methyl-3-[(2,4,6-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)-N-methyl-3-[(2,4,6-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
PubChem CID23879515
Molecular FormulaC20H19Cl2N3O3S
Molecular Weight452.36 g/mol
Exact Mass451.05
IUPAC Name4-(2,5-dichlorophenyl)-N-methyl-3-[(2,4,6-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2cc(Cl)ccc2Cl)n1N=Cc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C20H19Cl2N3O3S/c1-23-20-25(17(11-29-20)14-7-12(21)5-6-16(14)22)24-10-15-18(27-3)8-13(26-2)9-19(15)28-4/h5-11H,1-4H3/b23-20-,24-10?
InChIKeyPEOQMTKGUFVMHV-AUSURFIWSA-N
XLogP4.96
TPSA57.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.36
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)-N-methyl-3-[(2,4,6-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of 4-(2,5-dichlorophenyl)-N-methyl-3-[(2,4,6-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine (CID 23879515) is 4-(2,5-dichlorophenyl)-N-methyl-3-[(2,4,6-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2,5-dichlorophenyl)-N-methyl-3-[(2,4,6-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2,5-dichlorophenyl)-N-methyl-3-[(2,4,6-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine is C/N=c1\scc(-c2cc(Cl)ccc2Cl)n1N=Cc1c(OC)cc(OC)cc1OC.
What is the InChIKey of 4-(2,5-dichlorophenyl)-N-methyl-3-[(2,4,6-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is PEOQMTKGUFVMHV-AUSURFIWSA-N. The full InChI is InChI=1S/C20H19Cl2N3O3S/c1-23-20-25(17(11-29-20)14-7-12(21)5-6-16(14)22)24-10-15-18(27-3)8-13(26-2)9-19(15)28-4/h5-11H,1-4H3/b23-20-,24-10?.
What are the key properties of 4-(2,5-dichlorophenyl)-N-methyl-3-[(2,4,6-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine?
4-(2,5-dichlorophenyl)-N-methyl-3-[(2,4,6-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 452.36 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)-N-methyl-3-[(2,4,6-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 23879515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).