4H-thieno[3,2-b]pyrrole-2-carboxamide

C7H6N2OS — CID 68571544

IUPAC4H-thieno[3,2-b]pyrrole-2-carboxamide
SMILESNC(=O)c1cc2[nH]ccc2s1
InChIInChI=1S/C7H6N2OS/c8-7(10)6-3-4-5(11-6)1-2-9-4/h1-3,9H,(H2,8,10)
InChIKeyGYRHMODRAIUADQ-UHFFFAOYSA-N
MW166.21 g/mol
LogP1.33
Rot. Bonds1

About 4H-thieno[3,2-b]pyrrole-2-carboxamide

4H-thieno[3,2-b]pyrrole-2-carboxamide (PubChem CID 68571544) has the molecular formula C7H6N2OS and a molecular weight of 166.21 g/mol. Its IUPAC name is 4H-thieno[3,2-b]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4H-thieno[3,2-b]pyrrole-2-carboxamide
PubChem CID68571544
Molecular FormulaC7H6N2OS
Molecular Weight166.21 g/mol
Exact Mass166.02
IUPAC Name4H-thieno[3,2-b]pyrrole-2-carboxamide
SMILESNC(=O)c1cc2[nH]ccc2s1
InChIInChI=1S/C7H6N2OS/c8-7(10)6-3-4-5(11-6)1-2-9-4/h1-3,9H,(H2,8,10)
InChIKeyGYRHMODRAIUADQ-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 4H-thieno[3,2-b]pyrrole-2-carboxamide?
The IUPAC name of 4H-thieno[3,2-b]pyrrole-2-carboxamide (CID 68571544) is 4H-thieno[3,2-b]pyrrole-2-carboxamide.
What is the SMILES notation for 4H-thieno[3,2-b]pyrrole-2-carboxamide?
The canonical SMILES for 4H-thieno[3,2-b]pyrrole-2-carboxamide is NC(=O)c1cc2[nH]ccc2s1.
What is the InChIKey of 4H-thieno[3,2-b]pyrrole-2-carboxamide?
The InChIKey is GYRHMODRAIUADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c8-7(10)6-3-4-5(11-6)1-2-9-4/h1-3,9H,(H2,8,10).
What are the key properties of 4H-thieno[3,2-b]pyrrole-2-carboxamide?
4H-thieno[3,2-b]pyrrole-2-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 4H-thieno[3,2-b]pyrrole-2-carboxamide is sourced from PubChem (CID 68571544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).