2H-thieno[2,3-c]pyrrole

C6H5NS — CID 135348225

IUPAC2H-thieno[2,3-c]pyrrole
SMILESC1=NC=C2SCC=C12
InChIInChI=1S/C6H5NS/c1-2-8-6-4-7-3-5(1)6/h1,3-4H,2H2
InChIKeyMJLQKCJMLNBDIF-UHFFFAOYSA-N
MW123.18 g/mol
LogP1.59
Rot. Bonds

About 2H-thieno[2,3-c]pyrrole

2H-thieno[2,3-c]pyrrole (PubChem CID 135348225) has the molecular formula C6H5NS and a molecular weight of 123.18 g/mol. Its IUPAC name is 2H-thieno[2,3-c]pyrrole.

Molecular Properties

Compound Name2H-thieno[2,3-c]pyrrole
PubChem CID135348225
Molecular FormulaC6H5NS
Molecular Weight123.18 g/mol
Exact Mass123.01
IUPAC Name2H-thieno[2,3-c]pyrrole
SMILESC1=NC=C2SCC=C12
InChIInChI=1S/C6H5NS/c1-2-8-6-4-7-3-5(1)6/h1,3-4H,2H2
InChIKeyMJLQKCJMLNBDIF-UHFFFAOYSA-N
XLogP1.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2H-thieno[2,3-c]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2H-thieno[2,3-c]pyrrole?
The IUPAC name of 2H-thieno[2,3-c]pyrrole (CID 135348225) is 2H-thieno[2,3-c]pyrrole.
What is the SMILES notation for 2H-thieno[2,3-c]pyrrole?
The canonical SMILES for 2H-thieno[2,3-c]pyrrole is C1=NC=C2SCC=C12.
What is the InChIKey of 2H-thieno[2,3-c]pyrrole?
The InChIKey is MJLQKCJMLNBDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NS/c1-2-8-6-4-7-3-5(1)6/h1,3-4H,2H2.
What are the key properties of 2H-thieno[2,3-c]pyrrole?
2H-thieno[2,3-c]pyrrole has a molecular weight of 123.18 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-thieno[2,3-c]pyrrole is sourced from PubChem (CID 135348225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).