4-fluoro-N-[1-(3-methylsulfanylphenyl)ethenyl]aniline

C15H14FNS — CID 166668682

IUPAC4-fluoro-N-[1-(3-methylsulfanylphenyl)ethenyl]aniline
SMILESC=C(Nc1ccc(F)cc1)c1cccc(SC)c1
InChIInChI=1S/C15H14FNS/c1-11(12-4-3-5-15(10-12)18-2)17-14-8-6-13(16)7-9-14/h3-10,17H,1H2,2H3
InChIKeySDIVCPOZOIGFFU-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.63
Rot. Bonds4

About 4-fluoro-N-[1-(3-methylsulfanylphenyl)ethenyl]aniline

4-fluoro-N-[1-(3-methylsulfanylphenyl)ethenyl]aniline (PubChem CID 166668682) has the molecular formula C15H14FNS and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-fluoro-N-[1-(3-methylsulfanylphenyl)ethenyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[1-(3-methylsulfanylphenyl)ethenyl]aniline
PubChem CID166668682
Molecular FormulaC15H14FNS
Molecular Weight259.35 g/mol
Exact Mass259.08
IUPAC Name4-fluoro-N-[1-(3-methylsulfanylphenyl)ethenyl]aniline
SMILESC=C(Nc1ccc(F)cc1)c1cccc(SC)c1
InChIInChI=1S/C15H14FNS/c1-11(12-4-3-5-15(10-12)18-2)17-14-8-6-13(16)7-9-14/h3-10,17H,1H2,2H3
InChIKeySDIVCPOZOIGFFU-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-N-[1-(3-methylsulfanylphenyl)ethenyl]aniline with MolForge

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

Launch Full Analysis

Related Compounds

(E)-3-(4-fluoroanilino)-2-(3-hydroxyphenyl)but-2-enenitrile
CID 156877203
N-[1-(4-fluorophenyl)ethenyl]-1H-indol-5-amine
CID 142618850
3-(6-cyclobutyl-5-methyl-3-pyridinyl)-4-methyl-N-[1-(3-methylsulfanylphenyl)ethenyl]aniline
CID 155216148
1-N-(3-methylsulfanylphenyl)-1-N'-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]ethene-1,1-diamine
CID 142259696
N-[3-[1-[2-(4-fluorobenzoyl)hydrazinyl]ethenyl]phenyl]acetamide
CID 2690799
1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-(3-methylsulfanylphenyl)urea
CID 46381079
1-(3,5-difluorophenyl)-3-(3-methylsulfanylphenyl)thiourea
CID 53488867
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7565106
2-(4-fluoroanilino)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 30142360
N-(4-cyanophenyl)-N'-(3-methylsulfanylphenyl)oxamide
CID 108519404
N'-(4-chlorophenyl)-3-methylsulfanylbenzohydrazide
CID 54214681
2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide
CID 4802933

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(3-methylsulfanylphenyl)ethenyl]aniline?
The IUPAC name of 4-fluoro-N-[1-(3-methylsulfanylphenyl)ethenyl]aniline (CID 166668682) is 4-fluoro-N-[1-(3-methylsulfanylphenyl)ethenyl]aniline.
What is the SMILES notation for 4-fluoro-N-[1-(3-methylsulfanylphenyl)ethenyl]aniline?
The canonical SMILES for 4-fluoro-N-[1-(3-methylsulfanylphenyl)ethenyl]aniline is C=C(Nc1ccc(F)cc1)c1cccc(SC)c1.
What is the InChIKey of 4-fluoro-N-[1-(3-methylsulfanylphenyl)ethenyl]aniline?
The InChIKey is SDIVCPOZOIGFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNS/c1-11(12-4-3-5-15(10-12)18-2)17-14-8-6-13(16)7-9-14/h3-10,17H,1H2,2H3.
What are the key properties of 4-fluoro-N-[1-(3-methylsulfanylphenyl)ethenyl]aniline?
4-fluoro-N-[1-(3-methylsulfanylphenyl)ethenyl]aniline has a molecular weight of 259.35 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(3-methylsulfanylphenyl)ethenyl]aniline is sourced from PubChem (CID 166668682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).