2-(1H-imidazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine

C11H11N3S2 — CID 80733712

IUPAC2-(1H-imidazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
SMILESNC(Cc1ncc[nH]1)c1cc2sccc2s1
InChIInChI=1S/C11H11N3S2/c12-7(5-11-13-2-3-14-11)9-6-10-8(16-9)1-4-15-10/h1-4,6-7H,5,12H2,(H,13,14)
InChIKeyBTRAHCKDLNJPTP-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.93
Rot. Bonds3

About 2-(1H-imidazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine

2-(1H-imidazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine (PubChem CID 80733712) has the molecular formula C11H11N3S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
PubChem CID80733712
Molecular FormulaC11H11N3S2
Molecular Weight249.36 g/mol
Exact Mass249.04
IUPAC Name2-(1H-imidazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
SMILESNC(Cc1ncc[nH]1)c1cc2sccc2s1
InChIInChI=1S/C11H11N3S2/c12-7(5-11-13-2-3-14-11)9-6-10-8(16-9)1-4-15-10/h1-4,6-7H,5,12H2,(H,13,14)
InChIKeyBTRAHCKDLNJPTP-UHFFFAOYSA-N
XLogP2.93
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
The IUPAC name of 2-(1H-imidazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine (CID 80733712) is 2-(1H-imidazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine is NC(Cc1ncc[nH]1)c1cc2sccc2s1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
The InChIKey is BTRAHCKDLNJPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S2/c12-7(5-11-13-2-3-14-11)9-6-10-8(16-9)1-4-15-10/h1-4,6-7H,5,12H2,(H,13,14).
What are the key properties of 2-(1H-imidazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
2-(1H-imidazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine has a molecular weight of 249.36 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine is sourced from PubChem (CID 80733712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).