6H-thieno[2,3-b]pyrrole-5-carboxamide

C7H6N2OS — CID 57484310

IUPAC6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILESNC(=O)c1cc2ccsc2[nH]1
InChIInChI=1S/C7H6N2OS/c8-6(10)5-3-4-1-2-11-7(4)9-5/h1-3,9H,(H2,8,10)
InChIKeyPMYBAQWPHWQXPT-UHFFFAOYSA-N
MW166.21 g/mol
LogP1.33
Rot. Bonds1

About 6H-thieno[2,3-b]pyrrole-5-carboxamide

6H-thieno[2,3-b]pyrrole-5-carboxamide (PubChem CID 57484310) has the molecular formula C7H6N2OS and a molecular weight of 166.21 g/mol. Its IUPAC name is 6H-thieno[2,3-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name6H-thieno[2,3-b]pyrrole-5-carboxamide
PubChem CID57484310
Molecular FormulaC7H6N2OS
Molecular Weight166.21 g/mol
Exact Mass166.02
IUPAC Name6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILESNC(=O)c1cc2ccsc2[nH]1
InChIInChI=1S/C7H6N2OS/c8-6(10)5-3-4-1-2-11-7(4)9-5/h1-3,9H,(H2,8,10)
InChIKeyPMYBAQWPHWQXPT-UHFFFAOYSA-N
XLogP1.33
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6H-thieno[2,3-b]pyrrole-5-carboxamide?
The IUPAC name of 6H-thieno[2,3-b]pyrrole-5-carboxamide (CID 57484310) is 6H-thieno[2,3-b]pyrrole-5-carboxamide.
What is the SMILES notation for 6H-thieno[2,3-b]pyrrole-5-carboxamide?
The canonical SMILES for 6H-thieno[2,3-b]pyrrole-5-carboxamide is NC(=O)c1cc2ccsc2[nH]1.
What is the InChIKey of 6H-thieno[2,3-b]pyrrole-5-carboxamide?
The InChIKey is PMYBAQWPHWQXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c8-6(10)5-3-4-1-2-11-7(4)9-5/h1-3,9H,(H2,8,10).
What are the key properties of 6H-thieno[2,3-b]pyrrole-5-carboxamide?
6H-thieno[2,3-b]pyrrole-5-carboxamide has a molecular weight of 166.21 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-thieno[2,3-b]pyrrole-5-carboxamide is sourced from PubChem (CID 57484310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).