thiophene-3-carboxamide

C5H5NOS — CID 11205757

IUPACthiophene-3-carboxamide
SMILESNC(=O)c1ccsc1
InChIInChI=1S/C5H5NOS/c6-5(7)4-1-2-8-3-4/h1-3H,(H2,6,7)
InChIKeyDAUYIKBTMNZABP-UHFFFAOYSA-N
MW127.17 g/mol
LogP0.85
Rot. Bonds1

About thiophene-3-carboxamide

thiophene-3-carboxamide (PubChem CID 11205757) has the molecular formula C5H5NOS and a molecular weight of 127.17 g/mol. Its IUPAC name is thiophene-3-carboxamide.

Molecular Properties

Compound Namethiophene-3-carboxamide
PubChem CID11205757
Molecular FormulaC5H5NOS
Molecular Weight127.17 g/mol
Exact Mass127.01
IUPAC Namethiophene-3-carboxamide
SMILESNC(=O)c1ccsc1
InChIInChI=1S/C5H5NOS/c6-5(7)4-1-2-8-3-4/h1-3H,(H2,6,7)
InChIKeyDAUYIKBTMNZABP-UHFFFAOYSA-N
XLogP0.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of thiophene-3-carboxamide?
The IUPAC name of thiophene-3-carboxamide (CID 11205757) is thiophene-3-carboxamide.
What is the SMILES notation for thiophene-3-carboxamide?
The canonical SMILES for thiophene-3-carboxamide is NC(=O)c1ccsc1.
What is the InChIKey of thiophene-3-carboxamide?
The InChIKey is DAUYIKBTMNZABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NOS/c6-5(7)4-1-2-8-3-4/h1-3H,(H2,6,7).
What are the key properties of thiophene-3-carboxamide?
thiophene-3-carboxamide has a molecular weight of 127.17 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene-3-carboxamide is sourced from PubChem (CID 11205757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).