3,5-dimethylthiophene-2-carboxamide;ethane;toluene

C16H23NOS — CID 142861062

IUPAC3,5-dimethylthiophene-2-carboxamide;ethane;toluene
SMILESCC.Cc1cc(C)c(C(N)=O)s1.Cc1ccccc1
InChIInChI=1S/C7H9NOS.C7H8.C2H6/c1-4-3-5(2)10-6(4)7(8)9;1-7-5-3-2-4-6-7;1-2/h3H,1-2H3,(H2,8,9);2-6H,1H3;1-2H3
InChIKeyJJLKDKRZVJMBFQ-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.49
Rot. Bonds1

About 3,5-dimethylthiophene-2-carboxamide;ethane;toluene

3,5-dimethylthiophene-2-carboxamide;ethane;toluene (PubChem CID 142861062) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 3,5-dimethylthiophene-2-carboxamide;ethane;toluene.

Molecular Properties

Compound Name3,5-dimethylthiophene-2-carboxamide;ethane;toluene
PubChem CID142861062
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name3,5-dimethylthiophene-2-carboxamide;ethane;toluene
SMILESCC.Cc1cc(C)c(C(N)=O)s1.Cc1ccccc1
InChIInChI=1S/C7H9NOS.C7H8.C2H6/c1-4-3-5(2)10-6(4)7(8)9;1-7-5-3-2-4-6-7;1-2/h3H,1-2H3,(H2,8,9);2-6H,1H3;1-2H3
InChIKeyJJLKDKRZVJMBFQ-UHFFFAOYSA-N
XLogP4.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethylthiophene-2-carboxylic acid
CID 819558
(2-aminophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 13113637
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CID 90764441
acetic acid;ethane;toluene;yttrium
CID 158410874
(3,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethanone
CID 81156369
acetic acid;guanidine;toluene
CID 160673337
bis(carbamothioic S-acid);methane;methanol;toluene
CID 173458221
4-(3,5-dimethylthiophen-2-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 81157455
benzene;ethane;toluene
CID 158929596
ethane;toluene
CID 91350799
1-(3,5-dimethylthiophen-2-yl)-3-methyl-2-phenylpentan-1-one
CID 81156104
2-amino-6-hydroxybenzamide;toluene
CID 143980711

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylthiophene-2-carboxamide;ethane;toluene?
The IUPAC name of 3,5-dimethylthiophene-2-carboxamide;ethane;toluene (CID 142861062) is 3,5-dimethylthiophene-2-carboxamide;ethane;toluene.
What is the SMILES notation for 3,5-dimethylthiophene-2-carboxamide;ethane;toluene?
The canonical SMILES for 3,5-dimethylthiophene-2-carboxamide;ethane;toluene is CC.Cc1cc(C)c(C(N)=O)s1.Cc1ccccc1.
What is the InChIKey of 3,5-dimethylthiophene-2-carboxamide;ethane;toluene?
The InChIKey is JJLKDKRZVJMBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS.C7H8.C2H6/c1-4-3-5(2)10-6(4)7(8)9;1-7-5-3-2-4-6-7;1-2/h3H,1-2H3,(H2,8,9);2-6H,1H3;1-2H3.
What are the key properties of 3,5-dimethylthiophene-2-carboxamide;ethane;toluene?
3,5-dimethylthiophene-2-carboxamide;ethane;toluene has a molecular weight of 277.43 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylthiophene-2-carboxamide;ethane;toluene is sourced from PubChem (CID 142861062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).