2-ethylthieno[3,2-b]pyrrole-3,4-diamine

C8H11N3S — CID 141134825

IUPAC2-ethylthieno[3,2-b]pyrrole-3,4-diamine
SMILESCCc1sc2ccn(N)c2c1N
InChIInChI=1S/C8H11N3S/c1-2-5-7(9)8-6(12-5)3-4-11(8)10/h3-4H,2,9-10H2,1H3
InChIKeyWMSYKQLAHUACLT-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.56
Rot. Bonds1

About 2-ethylthieno[3,2-b]pyrrole-3,4-diamine

2-ethylthieno[3,2-b]pyrrole-3,4-diamine (PubChem CID 141134825) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-ethylthieno[3,2-b]pyrrole-3,4-diamine.

Molecular Properties

Compound Name2-ethylthieno[3,2-b]pyrrole-3,4-diamine
PubChem CID141134825
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name2-ethylthieno[3,2-b]pyrrole-3,4-diamine
SMILESCCc1sc2ccn(N)c2c1N
InChIInChI=1S/C8H11N3S/c1-2-5-7(9)8-6(12-5)3-4-11(8)10/h3-4H,2,9-10H2,1H3
InChIKeyWMSYKQLAHUACLT-UHFFFAOYSA-N
XLogP1.56
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylthieno[3,2-b]pyrrole-3,4-diamine?
The IUPAC name of 2-ethylthieno[3,2-b]pyrrole-3,4-diamine (CID 141134825) is 2-ethylthieno[3,2-b]pyrrole-3,4-diamine.
What is the SMILES notation for 2-ethylthieno[3,2-b]pyrrole-3,4-diamine?
The canonical SMILES for 2-ethylthieno[3,2-b]pyrrole-3,4-diamine is CCc1sc2ccn(N)c2c1N.
What is the InChIKey of 2-ethylthieno[3,2-b]pyrrole-3,4-diamine?
The InChIKey is WMSYKQLAHUACLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-2-5-7(9)8-6(12-5)3-4-11(8)10/h3-4H,2,9-10H2,1H3.
What are the key properties of 2-ethylthieno[3,2-b]pyrrole-3,4-diamine?
2-ethylthieno[3,2-b]pyrrole-3,4-diamine has a molecular weight of 181.26 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylthieno[3,2-b]pyrrole-3,4-diamine is sourced from PubChem (CID 141134825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).