3-(3,4-dimethylphenyl)imino-1-thiophen-2-ylpropan-1-one

C15H15NOS — CID 91896845

IUPAC3-(3,4-dimethylphenyl)imino-1-thiophen-2-ylpropan-1-one
SMILESCc1ccc(/N=C/CC(=O)c2cccs2)cc1C
InChIInChI=1S/C15H15NOS/c1-11-5-6-13(10-12(11)2)16-8-7-14(17)15-4-3-9-18-15/h3-6,8-10H,7H2,1-2H3/b16-8+
InChIKeyPRKYZLCHKBDJKO-LZYBPNLTSA-N
MW257.36 g/mol
LogP4.34
Rot. Bonds4

About 3-(3,4-dimethylphenyl)imino-1-thiophen-2-ylpropan-1-one

3-(3,4-dimethylphenyl)imino-1-thiophen-2-ylpropan-1-one (PubChem CID 91896845) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)imino-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)imino-1-thiophen-2-ylpropan-1-one
PubChem CID91896845
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name3-(3,4-dimethylphenyl)imino-1-thiophen-2-ylpropan-1-one
SMILESCc1ccc(/N=C/CC(=O)c2cccs2)cc1C
InChIInChI=1S/C15H15NOS/c1-11-5-6-13(10-12(11)2)16-8-7-14(17)15-4-3-9-18-15/h3-6,8-10H,7H2,1-2H3/b16-8+
InChIKeyPRKYZLCHKBDJKO-LZYBPNLTSA-N
XLogP4.34
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluoro-3-methylphenyl)imino-1-thiophen-2-ylpropan-1-one
CID 91896847
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-(3,4-dimethylphenoxy)-1-thiophen-2-ylethanone
CID 43412330
2-(butylideneamino)-1-thiophen-2-ylethanone
CID 58171418
1-thiophen-2-ylpropan-1-one
CID 26179
[2-(3,4-dimethylphenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 1218644
2-(2,5-dimethylphenyl)sulfinyl-1-thiophen-2-ylethanone
CID 64637062
3-(2,6-dimethylanilino)-1-thiophen-2-ylpropan-1-one
CID 94272976
2-pyrrolidin-2-yl-1-thiophen-2-ylethanone
CID 71755530
(Z)-3-[(3-chloro-4-methylphenyl)iminomethyl]-1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one
CID 135459512

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)imino-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-(3,4-dimethylphenyl)imino-1-thiophen-2-ylpropan-1-one (CID 91896845) is 3-(3,4-dimethylphenyl)imino-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-(3,4-dimethylphenyl)imino-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-(3,4-dimethylphenyl)imino-1-thiophen-2-ylpropan-1-one is Cc1ccc(/N=C/CC(=O)c2cccs2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)imino-1-thiophen-2-ylpropan-1-one?
The InChIKey is PRKYZLCHKBDJKO-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H15NOS/c1-11-5-6-13(10-12(11)2)16-8-7-14(17)15-4-3-9-18-15/h3-6,8-10H,7H2,1-2H3/b16-8+.
What are the key properties of 3-(3,4-dimethylphenyl)imino-1-thiophen-2-ylpropan-1-one?
3-(3,4-dimethylphenyl)imino-1-thiophen-2-ylpropan-1-one has a molecular weight of 257.36 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)imino-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 91896845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).