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

C18H16FN3S — CID 2338988

IUPAC3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(C)cc2)n1N=Cc1ccc(F)cc1
InChIInChI=1S/C18H16FN3S/c1-13-3-7-15(8-4-13)17-12-23-18(20-2)22(17)21-11-14-5-9-16(19)10-6-14/h3-12H,1-2H3/b20-18-,21-11?
InChIKeyRQXOACDEXVSXKG-DUIPXHHWSA-N
MW325.41 g/mol
LogP4.08
Rot. Bonds3

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

3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine (PubChem CID 2338988) has the molecular formula C18H16FN3S and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine
PubChem CID2338988
Molecular FormulaC18H16FN3S
Molecular Weight325.41 g/mol
Exact Mass325.10
IUPAC Name3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(C)cc2)n1N=Cc1ccc(F)cc1
InChIInChI=1S/C18H16FN3S/c1-13-3-7-15(8-4-13)17-12-23-18(20-2)22(17)21-11-14-5-9-16(19)10-6-14/h3-12H,1-2H3/b20-18-,21-11?
InChIKeyRQXOACDEXVSXKG-DUIPXHHWSA-N
XLogP4.08
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.08
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 3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine (CID 2338988) is 3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccc(C)cc2)n1N=Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The InChIKey is RQXOACDEXVSXKG-DUIPXHHWSA-N. The full InChI is InChI=1S/C18H16FN3S/c1-13-3-7-15(8-4-13)17-12-23-18(20-2)22(17)21-11-14-5-9-16(19)10-6-14/h3-12H,1-2H3/b20-18-,21-11?.
What are the key properties of 3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine?
3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine has a molecular weight of 325.41 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 2338988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).