5-methyl-2-methylsulfanylthiophene-3-carboxamide

C7H9NOS2 — CID 678409

IUPAC5-methyl-2-methylsulfanylthiophene-3-carboxamide
SMILESCSc1sc(C)cc1C(N)=O
InChIInChI=1S/C7H9NOS2/c1-4-3-5(6(8)9)7(10-2)11-4/h3H,1-2H3,(H2,8,9)
InChIKeyHPTBJLWRIYJAMO-UHFFFAOYSA-N
MW187.29 g/mol
LogP1.88
Rot. Bonds2

About 5-methyl-2-methylsulfanylthiophene-3-carboxamide

5-methyl-2-methylsulfanylthiophene-3-carboxamide (PubChem CID 678409) has the molecular formula C7H9NOS2 and a molecular weight of 187.29 g/mol. Its IUPAC name is 5-methyl-2-methylsulfanylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-methyl-2-methylsulfanylthiophene-3-carboxamide
PubChem CID678409
Molecular FormulaC7H9NOS2
Molecular Weight187.29 g/mol
Exact Mass187.01
IUPAC Name5-methyl-2-methylsulfanylthiophene-3-carboxamide
SMILESCSc1sc(C)cc1C(N)=O
InChIInChI=1S/C7H9NOS2/c1-4-3-5(6(8)9)7(10-2)11-4/h3H,1-2H3,(H2,8,9)
InChIKeyHPTBJLWRIYJAMO-UHFFFAOYSA-N
XLogP1.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylsulfanylthiophene-3-carboxamide?
The IUPAC name of 5-methyl-2-methylsulfanylthiophene-3-carboxamide (CID 678409) is 5-methyl-2-methylsulfanylthiophene-3-carboxamide.
What is the SMILES notation for 5-methyl-2-methylsulfanylthiophene-3-carboxamide?
The canonical SMILES for 5-methyl-2-methylsulfanylthiophene-3-carboxamide is CSc1sc(C)cc1C(N)=O.
What is the InChIKey of 5-methyl-2-methylsulfanylthiophene-3-carboxamide?
The InChIKey is HPTBJLWRIYJAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS2/c1-4-3-5(6(8)9)7(10-2)11-4/h3H,1-2H3,(H2,8,9).
What are the key properties of 5-methyl-2-methylsulfanylthiophene-3-carboxamide?
5-methyl-2-methylsulfanylthiophene-3-carboxamide has a molecular weight of 187.29 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylsulfanylthiophene-3-carboxamide is sourced from PubChem (CID 678409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).