3-(4-fluoro-3-methylphenyl)imino-1-thiophen-2-ylpropan-1-one

C14H12FNOS — CID 91896847

IUPAC3-(4-fluoro-3-methylphenyl)imino-1-thiophen-2-ylpropan-1-one
SMILESCc1cc(/N=C/CC(=O)c2cccs2)ccc1F
InChIInChI=1S/C14H12FNOS/c1-10-9-11(4-5-12(10)15)16-7-6-13(17)14-3-2-8-18-14/h2-5,7-9H,6H2,1H3/b16-7+
InChIKeyZIIFJKSQEHVLIG-FRKPEAEDSA-N
MW261.32 g/mol
LogP4.17
Rot. Bonds4

About 3-(4-fluoro-3-methylphenyl)imino-1-thiophen-2-ylpropan-1-one

3-(4-fluoro-3-methylphenyl)imino-1-thiophen-2-ylpropan-1-one (PubChem CID 91896847) has the molecular formula C14H12FNOS and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)imino-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)imino-1-thiophen-2-ylpropan-1-one
PubChem CID91896847
Molecular FormulaC14H12FNOS
Molecular Weight261.32 g/mol
Exact Mass261.06
IUPAC Name3-(4-fluoro-3-methylphenyl)imino-1-thiophen-2-ylpropan-1-one
SMILESCc1cc(/N=C/CC(=O)c2cccs2)ccc1F
InChIInChI=1S/C14H12FNOS/c1-10-9-11(4-5-12(10)15)16-7-6-13(17)14-3-2-8-18-14/h2-5,7-9H,6H2,1H3/b16-7+
InChIKeyZIIFJKSQEHVLIG-FRKPEAEDSA-N
XLogP4.17
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-fluoro-3-methylphenyl)imino-1-thiophen-2-ylpropan-1-one 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

3-(3,4-dimethylphenyl)imino-1-thiophen-2-ylpropan-1-one
CID 91896845
3-(3,4-difluorophenyl)imino-1-thiophen-2-ylpropan-1-one
CID 91896811
3-(1,3-benzodioxol-5-ylimino)-1-thiophen-2-ylpropan-1-one
CID 91896852
3-propan-2-ylimino-1-thiophen-2-ylpropan-1-one
CID 91401022
2-(butylideneamino)-1-thiophen-2-ylethanone
CID 58171418
1-thiophen-2-ylpropan-1-one
CID 26179
2-(3,4-difluorophenoxy)-1-thiophen-2-ylethanone
CID 43612539
4-[(4-fluoro-3-methylphenyl)iminomethyl]-2,6-dimethylphenol
CID 3535730
N-[(3-fluoro-4-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 34314674
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 110305588
N-[3-(2-fluoro-5-methylanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9455258
2-pyrrolidin-2-yl-1-thiophen-2-ylethanone
CID 71755530

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)imino-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)imino-1-thiophen-2-ylpropan-1-one (CID 91896847) is 3-(4-fluoro-3-methylphenyl)imino-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)imino-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)imino-1-thiophen-2-ylpropan-1-one is Cc1cc(/N=C/CC(=O)c2cccs2)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)imino-1-thiophen-2-ylpropan-1-one?
The InChIKey is ZIIFJKSQEHVLIG-FRKPEAEDSA-N. The full InChI is InChI=1S/C14H12FNOS/c1-10-9-11(4-5-12(10)15)16-7-6-13(17)14-3-2-8-18-14/h2-5,7-9H,6H2,1H3/b16-7+.
What are the key properties of 3-(4-fluoro-3-methylphenyl)imino-1-thiophen-2-ylpropan-1-one?
3-(4-fluoro-3-methylphenyl)imino-1-thiophen-2-ylpropan-1-one has a molecular weight of 261.32 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)imino-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 91896847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).