3-methylsulfanylthiophene-2-carboxamide

C6H7NOS2 — CID 599477

IUPAC3-methylsulfanylthiophene-2-carboxamide
SMILESCSc1ccsc1C(N)=O
InChIInChI=1S/C6H7NOS2/c1-9-4-2-3-10-5(4)6(7)8/h2-3H,1H3,(H2,7,8)
InChIKeyYAISXCVTYWZHNP-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.57
Rot. Bonds2

About 3-methylsulfanylthiophene-2-carboxamide

3-methylsulfanylthiophene-2-carboxamide (PubChem CID 599477) has the molecular formula C6H7NOS2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-methylsulfanylthiophene-2-carboxamide
PubChem CID599477
Molecular FormulaC6H7NOS2
Molecular Weight173.26 g/mol
Exact Mass173.00
IUPAC Name3-methylsulfanylthiophene-2-carboxamide
SMILESCSc1ccsc1C(N)=O
InChIInChI=1S/C6H7NOS2/c1-9-4-2-3-10-5(4)6(7)8/h2-3H,1H3,(H2,7,8)
InChIKeyYAISXCVTYWZHNP-UHFFFAOYSA-N
XLogP1.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Thiophenecarboxamide
CID 22063
N-hydroxythiophene-2-carboxamide
CID 239511
Thiophen-2-acetamide
CID 78208
Thiophene-2-carbohydrazide
CID 73098
5-Chlorothiophene-2-carboxamide
CID 5172545
3-Chloro-2-thiophenecarboxamide
CID 2808088
2-Methylthiophene-3-carboxamide
CID 21837037
N-methylthiophene-2-carboxamide
CID 819552
3-Methylthiophene-2-carboxamide
CID 588128
N-Tert-butyl-2-thiophenecarboxamide
CID 4324161
2-Thiophenecarboxamide, N,N-dimethyl-
CID 141583
3-Sulfamoylthiophene-2-carboxamide
CID 18331866

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of 3-methylsulfanylthiophene-2-carboxamide (CID 599477) is 3-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for 3-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for 3-methylsulfanylthiophene-2-carboxamide is CSc1ccsc1C(N)=O.
What is the InChIKey of 3-methylsulfanylthiophene-2-carboxamide?
The InChIKey is YAISXCVTYWZHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS2/c1-9-4-2-3-10-5(4)6(7)8/h2-3H,1H3,(H2,7,8).
What are the key properties of 3-methylsulfanylthiophene-2-carboxamide?
3-methylsulfanylthiophene-2-carboxamide has a molecular weight of 173.26 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 599477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).