4,5-dimethylthiophene-3-carboxamide

C7H9NOS — CID 75466113

IUPAC4,5-dimethylthiophene-3-carboxamide
SMILESCc1scc(C(N)=O)c1C
InChIInChI=1S/C7H9NOS/c1-4-5(2)10-3-6(4)7(8)9/h3H,1-2H3,(H2,8,9)
InChIKeyFVVNSTZGHZBVTR-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.46
Rot. Bonds1

About 4,5-dimethylthiophene-3-carboxamide

4,5-dimethylthiophene-3-carboxamide (PubChem CID 75466113) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethylthiophene-3-carboxamide
PubChem CID75466113
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name4,5-dimethylthiophene-3-carboxamide
SMILESCc1scc(C(N)=O)c1C
InChIInChI=1S/C7H9NOS/c1-4-5(2)10-3-6(4)7(8)9/h3H,1-2H3,(H2,8,9)
InChIKeyFVVNSTZGHZBVTR-UHFFFAOYSA-N
XLogP1.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 4,5-dimethylthiophene-3-carboxamide (CID 75466113) is 4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethylthiophene-3-carboxamide is Cc1scc(C(N)=O)c1C.
What is the InChIKey of 4,5-dimethylthiophene-3-carboxamide?
The InChIKey is FVVNSTZGHZBVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-4-5(2)10-3-6(4)7(8)9/h3H,1-2H3,(H2,8,9).
What are the key properties of 4,5-dimethylthiophene-3-carboxamide?
4,5-dimethylthiophene-3-carboxamide has a molecular weight of 155.22 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 75466113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).