5-(3,4-dimethylanilino)thiophen-3-one

C12H13NOS — CID 72711038

IUPAC5-(3,4-dimethylanilino)thiophen-3-one
SMILESCc1ccc(NC2=CC(=O)CS2)cc1C
InChIInChI=1S/C12H13NOS/c1-8-3-4-10(5-9(8)2)13-12-6-11(14)7-15-12/h3-6,13H,7H2,1-2H3
InChIKeyONXMVKIYYGEYFD-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.87
Rot. Bonds2

About 5-(3,4-dimethylanilino)thiophen-3-one

5-(3,4-dimethylanilino)thiophen-3-one (PubChem CID 72711038) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 5-(3,4-dimethylanilino)thiophen-3-one.

Molecular Properties

Compound Name5-(3,4-dimethylanilino)thiophen-3-one
PubChem CID72711038
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name5-(3,4-dimethylanilino)thiophen-3-one
SMILESCc1ccc(NC2=CC(=O)CS2)cc1C
InChIInChI=1S/C12H13NOS/c1-8-3-4-10(5-9(8)2)13-12-6-11(14)7-15-12/h3-6,13H,7H2,1-2H3
InChIKeyONXMVKIYYGEYFD-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

S-[2-(2,3-dimethylanilino)-2-oxoethyl] carbamothioate
CID 2241158
2-[[2-(3,4-Dimethylanilino)-2-oxoethyl]thio]acetamide
CID 1249855
N-(4-methylphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
CID 5891516
N-(3,4-dimethylphenyl)-2-carbamoylthioacetamide
CID 224674
4-Amino-3-(3,4-dimethylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 3432012
acetamide,N-(4-ethylphenyl)-2-(methylthio)-
CID 974627
4-Chloro-5-(3,4-dimethylanilino)dithiol-3-one
CID 2466443
4-Aminooxy-5-(3,4-dimethylanilino)thiophen-3-one
CID 86576606
5-(3,4-Dimethylanilino)-4-(ethylaminooxy)thiophen-3-one
CID 86576607
5-(3,4-Dimethylanilino)-4-(propylaminooxy)thiophen-3-one
CID 86576608
4-(Butylaminooxy)-5-(3,4-dimethylanilino)thiophen-3-one
CID 86576609
4-(Cyclopropylamino)oxy-5-(3,4-dimethylanilino)thiophen-3-one
CID 86576645

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylanilino)thiophen-3-one?
The IUPAC name of 5-(3,4-dimethylanilino)thiophen-3-one (CID 72711038) is 5-(3,4-dimethylanilino)thiophen-3-one.
What is the SMILES notation for 5-(3,4-dimethylanilino)thiophen-3-one?
The canonical SMILES for 5-(3,4-dimethylanilino)thiophen-3-one is Cc1ccc(NC2=CC(=O)CS2)cc1C.
What is the InChIKey of 5-(3,4-dimethylanilino)thiophen-3-one?
The InChIKey is ONXMVKIYYGEYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-8-3-4-10(5-9(8)2)13-12-6-11(14)7-15-12/h3-6,13H,7H2,1-2H3.
What are the key properties of 5-(3,4-dimethylanilino)thiophen-3-one?
5-(3,4-dimethylanilino)thiophen-3-one has a molecular weight of 219.31 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylanilino)thiophen-3-one is sourced from PubChem (CID 72711038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).