4-(2,4-dichlorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine

C16H13Cl2N3OS — CID 23966153

IUPAC4-(2,4-dichlorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(Cl)cc2Cl)n1N=C(C)c1ccco1
InChIInChI=1S/C16H13Cl2N3OS/c1-10(15-4-3-7-22-15)20-21-14(9-23-16(21)19-2)12-6-5-11(17)8-13(12)18/h3-9H,1-2H3/b19-16-,20-10?
InChIKeyMVFFGWJVCLFTIU-ZDPFTQJASA-N
MW366.27 g/mol
LogP4.92
Rot. Bonds3

About 4-(2,4-dichlorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine

4-(2,4-dichlorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine (PubChem CID 23966153) has the molecular formula C16H13Cl2N3OS and a molecular weight of 366.27 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine
PubChem CID23966153
Molecular FormulaC16H13Cl2N3OS
Molecular Weight366.27 g/mol
Exact Mass365.02
IUPAC Name4-(2,4-dichlorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(Cl)cc2Cl)n1N=C(C)c1ccco1
InChIInChI=1S/C16H13Cl2N3OS/c1-10(15-4-3-7-22-15)20-21-14(9-23-16(21)19-2)12-6-5-11(17)8-13(12)18/h3-9H,1-2H3/b19-16-,20-10?
InChIKeyMVFFGWJVCLFTIU-ZDPFTQJASA-N
XLogP4.92
TPSA42.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2,4-dichlorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(2,4-dichlorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine (CID 23966153) is 4-(2,4-dichlorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccc(Cl)cc2Cl)n1N=C(C)c1ccco1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine?
The InChIKey is MVFFGWJVCLFTIU-ZDPFTQJASA-N. The full InChI is InChI=1S/C16H13Cl2N3OS/c1-10(15-4-3-7-22-15)20-21-14(9-23-16(21)19-2)12-6-5-11(17)8-13(12)18/h3-9H,1-2H3/b19-16-,20-10?.
What are the key properties of 4-(2,4-dichlorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine?
4-(2,4-dichlorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine has a molecular weight of 366.27 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 23966153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).