6-tert-butylthieno[2,3-b]pyrrol-4-amine

C10H14N2S — CID 169302727

IUPAC6-tert-butylthieno[2,3-b]pyrrol-4-amine
SMILESCC(C)(C)n1cc(N)c2ccsc21
InChIInChI=1S/C10H14N2S/c1-10(2,3)12-6-8(11)7-4-5-13-9(7)12/h4-6H,11H2,1-3H3
InChIKeyNPAIMWNHKDHKKM-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.04
Rot. Bonds

About 6-tert-butylthieno[2,3-b]pyrrol-4-amine

6-tert-butylthieno[2,3-b]pyrrol-4-amine (PubChem CID 169302727) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 6-tert-butylthieno[2,3-b]pyrrol-4-amine.

Molecular Properties

Compound Name6-tert-butylthieno[2,3-b]pyrrol-4-amine
PubChem CID169302727
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name6-tert-butylthieno[2,3-b]pyrrol-4-amine
SMILESCC(C)(C)n1cc(N)c2ccsc21
InChIInChI=1S/C10H14N2S/c1-10(2,3)12-6-8(11)7-4-5-13-9(7)12/h4-6H,11H2,1-3H3
InChIKeyNPAIMWNHKDHKKM-UHFFFAOYSA-N
XLogP3.04
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylthieno[2,3-b]pyrrol-4-amine?
The IUPAC name of 6-tert-butylthieno[2,3-b]pyrrol-4-amine (CID 169302727) is 6-tert-butylthieno[2,3-b]pyrrol-4-amine.
What is the SMILES notation for 6-tert-butylthieno[2,3-b]pyrrol-4-amine?
The canonical SMILES for 6-tert-butylthieno[2,3-b]pyrrol-4-amine is CC(C)(C)n1cc(N)c2ccsc21.
What is the InChIKey of 6-tert-butylthieno[2,3-b]pyrrol-4-amine?
The InChIKey is NPAIMWNHKDHKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-10(2,3)12-6-8(11)7-4-5-13-9(7)12/h4-6H,11H2,1-3H3.
What are the key properties of 6-tert-butylthieno[2,3-b]pyrrol-4-amine?
6-tert-butylthieno[2,3-b]pyrrol-4-amine has a molecular weight of 194.30 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylthieno[2,3-b]pyrrol-4-amine is sourced from PubChem (CID 169302727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).