4-ethyl-5-propan-2-ylthieno[3,2-b]pyrrole

C11H15NS — CID 155280673

IUPAC4-ethyl-5-propan-2-ylthieno[3,2-b]pyrrole
SMILESCCn1c(C(C)C)cc2sccc21
InChIInChI=1S/C11H15NS/c1-4-12-9-5-6-13-11(9)7-10(12)8(2)3/h5-8H,4H2,1-3H3
InChIKeyIKVSZIRVDUMFQI-UHFFFAOYSA-N
MW193.31 g/mol
LogP3.85
Rot. Bonds2

About 4-ethyl-5-propan-2-ylthieno[3,2-b]pyrrole

4-ethyl-5-propan-2-ylthieno[3,2-b]pyrrole (PubChem CID 155280673) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 4-ethyl-5-propan-2-ylthieno[3,2-b]pyrrole.

Molecular Properties

Compound Name4-ethyl-5-propan-2-ylthieno[3,2-b]pyrrole
PubChem CID155280673
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name4-ethyl-5-propan-2-ylthieno[3,2-b]pyrrole
SMILESCCn1c(C(C)C)cc2sccc21
InChIInChI=1S/C11H15NS/c1-4-12-9-5-6-13-11(9)7-10(12)8(2)3/h5-8H,4H2,1-3H3
InChIKeyIKVSZIRVDUMFQI-UHFFFAOYSA-N
XLogP3.85
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-propan-2-ylthieno[3,2-b]pyrrole?
The IUPAC name of 4-ethyl-5-propan-2-ylthieno[3,2-b]pyrrole (CID 155280673) is 4-ethyl-5-propan-2-ylthieno[3,2-b]pyrrole.
What is the SMILES notation for 4-ethyl-5-propan-2-ylthieno[3,2-b]pyrrole?
The canonical SMILES for 4-ethyl-5-propan-2-ylthieno[3,2-b]pyrrole is CCn1c(C(C)C)cc2sccc21.
What is the InChIKey of 4-ethyl-5-propan-2-ylthieno[3,2-b]pyrrole?
The InChIKey is IKVSZIRVDUMFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-4-12-9-5-6-13-11(9)7-10(12)8(2)3/h5-8H,4H2,1-3H3.
What are the key properties of 4-ethyl-5-propan-2-ylthieno[3,2-b]pyrrole?
4-ethyl-5-propan-2-ylthieno[3,2-b]pyrrole has a molecular weight of 193.31 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-propan-2-ylthieno[3,2-b]pyrrole is sourced from PubChem (CID 155280673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).