4-(4-fluorophenyl)-N-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine

C16H14FN3S2 — CID 23765822

IUPAC4-(4-fluorophenyl)-N-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1ccc(C)s1
InChIInChI=1S/C16H14FN3S2/c1-11-3-8-14(22-11)9-19-20-15(10-21-16(20)18-2)12-4-6-13(17)7-5-12/h3-10H,1-2H3/b18-16-,19-9?
InChIKeyOHJIMAGYOWBNPM-ZIIJYNKPSA-N
MW331.44 g/mol
LogP4.14
Rot. Bonds3

About 4-(4-fluorophenyl)-N-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine

4-(4-fluorophenyl)-N-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 23765822) has the molecular formula C16H14FN3S2 and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
PubChem CID23765822
Molecular FormulaC16H14FN3S2
Molecular Weight331.44 g/mol
Exact Mass331.06
IUPAC Name4-(4-fluorophenyl)-N-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1ccc(C)s1
InChIInChI=1S/C16H14FN3S2/c1-11-3-8-14(22-11)9-19-20-15(10-21-16(20)18-2)12-4-6-13(17)7-5-12/h3-10H,1-2H3/b18-16-,19-9?
InChIKeyOHJIMAGYOWBNPM-ZIIJYNKPSA-N
XLogP4.14
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-fluorophenyl)-N-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-fluorophenyl)-N-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine (CID 23765822) is 4-(4-fluorophenyl)-N-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-fluorophenyl)-N-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1ccc(C)s1.
What is the InChIKey of 4-(4-fluorophenyl)-N-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is OHJIMAGYOWBNPM-ZIIJYNKPSA-N. The full InChI is InChI=1S/C16H14FN3S2/c1-11-3-8-14(22-11)9-19-20-15(10-21-16(20)18-2)12-4-6-13(17)7-5-12/h3-10H,1-2H3/b18-16-,19-9?.
What are the key properties of 4-(4-fluorophenyl)-N-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
4-(4-fluorophenyl)-N-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 331.44 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 23765822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).