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

C18H15F2N3S — CID 23882903

IUPAC4-(2-fluorophenyl)-3-[1-(3-fluorophenyl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccccc2F)n1N=C(C)c1cccc(F)c1
InChIInChI=1S/C18H15F2N3S/c1-12(13-6-5-7-14(19)10-13)22-23-17(11-24-18(23)21-2)15-8-3-4-9-16(15)20/h3-11H,1-2H3/b21-18-,22-12?
InChIKeyVJKDMDWRBWHKQK-MNFQSDTJSA-N
MW343.40 g/mol
LogP4.30
Rot. Bonds3

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

4-(2-fluorophenyl)-3-[1-(3-fluorophenyl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine (PubChem CID 23882903) has the molecular formula C18H15F2N3S and a molecular weight of 343.40 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-3-[1-(3-fluorophenyl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-3-[1-(3-fluorophenyl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine
PubChem CID23882903
Molecular FormulaC18H15F2N3S
Molecular Weight343.40 g/mol
Exact Mass343.10
IUPAC Name4-(2-fluorophenyl)-3-[1-(3-fluorophenyl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccccc2F)n1N=C(C)c1cccc(F)c1
InChIInChI=1S/C18H15F2N3S/c1-12(13-6-5-7-14(19)10-13)22-23-17(11-24-18(23)21-2)15-8-3-4-9-16(15)20/h3-11H,1-2H3/b21-18-,22-12?
InChIKeyVJKDMDWRBWHKQK-MNFQSDTJSA-N
XLogP4.30
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-fluorophenyl)-3-[1-(3-fluorophenyl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(2-fluorophenyl)-3-[1-(3-fluorophenyl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine (CID 23882903) is 4-(2-fluorophenyl)-3-[1-(3-fluorophenyl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2-fluorophenyl)-3-[1-(3-fluorophenyl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2-fluorophenyl)-3-[1-(3-fluorophenyl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccccc2F)n1N=C(C)c1cccc(F)c1.
What is the InChIKey of 4-(2-fluorophenyl)-3-[1-(3-fluorophenyl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine?
The InChIKey is VJKDMDWRBWHKQK-MNFQSDTJSA-N. The full InChI is InChI=1S/C18H15F2N3S/c1-12(13-6-5-7-14(19)10-13)22-23-17(11-24-18(23)21-2)15-8-3-4-9-16(15)20/h3-11H,1-2H3/b21-18-,22-12?.
What are the key properties of 4-(2-fluorophenyl)-3-[1-(3-fluorophenyl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine?
4-(2-fluorophenyl)-3-[1-(3-fluorophenyl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine has a molecular weight of 343.40 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-3-[1-(3-fluorophenyl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 23882903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).