2-pyridin-3-yl-1-thieno[3,2-b]thiophen-5-ylethanamine

C13H12N2S2 — CID 105034758

IUPAC2-pyridin-3-yl-1-thieno[3,2-b]thiophen-5-ylethanamine
SMILESNC(Cc1cccnc1)c1cc2sccc2s1
InChIInChI=1S/C13H12N2S2/c14-10(6-9-2-1-4-15-8-9)12-7-13-11(17-12)3-5-16-13/h1-5,7-8,10H,6,14H2
InChIKeyPYIFKKOZLJPAOT-UHFFFAOYSA-N
MW260.39 g/mol
LogP3.60
Rot. Bonds3

About 2-pyridin-3-yl-1-thieno[3,2-b]thiophen-5-ylethanamine

2-pyridin-3-yl-1-thieno[3,2-b]thiophen-5-ylethanamine (PubChem CID 105034758) has the molecular formula C13H12N2S2 and a molecular weight of 260.39 g/mol. Its IUPAC name is 2-pyridin-3-yl-1-thieno[3,2-b]thiophen-5-ylethanamine.

Molecular Properties

Compound Name2-pyridin-3-yl-1-thieno[3,2-b]thiophen-5-ylethanamine
PubChem CID105034758
Molecular FormulaC13H12N2S2
Molecular Weight260.39 g/mol
Exact Mass260.04
IUPAC Name2-pyridin-3-yl-1-thieno[3,2-b]thiophen-5-ylethanamine
SMILESNC(Cc1cccnc1)c1cc2sccc2s1
InChIInChI=1S/C13H12N2S2/c14-10(6-9-2-1-4-15-8-9)12-7-13-11(17-12)3-5-16-13/h1-5,7-8,10H,6,14H2
InChIKeyPYIFKKOZLJPAOT-UHFFFAOYSA-N
XLogP3.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-pyridin-3-yl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105034571
2-(3-chloro-4-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 112655417
2-(1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105015351
2-(2-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80745793
2-(2,6-dichlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115830695
1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 80738455
2-(1,3-benzothiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80738576
2-(1H-imidazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80733712
4-(2-bromo-2-thieno[3,2-b]thiophen-5-ylethyl)-3-chloropyridine
CID 112656055
4,4,4-trifluoro-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
CID 104992946
3-methylsulfonyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
CID 115848689
4,4-dimethyl-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine
CID 115850208

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1-thieno[3,2-b]thiophen-5-ylethanamine?
The IUPAC name of 2-pyridin-3-yl-1-thieno[3,2-b]thiophen-5-ylethanamine (CID 105034758) is 2-pyridin-3-yl-1-thieno[3,2-b]thiophen-5-ylethanamine.
What is the SMILES notation for 2-pyridin-3-yl-1-thieno[3,2-b]thiophen-5-ylethanamine?
The canonical SMILES for 2-pyridin-3-yl-1-thieno[3,2-b]thiophen-5-ylethanamine is NC(Cc1cccnc1)c1cc2sccc2s1.
What is the InChIKey of 2-pyridin-3-yl-1-thieno[3,2-b]thiophen-5-ylethanamine?
The InChIKey is PYIFKKOZLJPAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S2/c14-10(6-9-2-1-4-15-8-9)12-7-13-11(17-12)3-5-16-13/h1-5,7-8,10H,6,14H2.
What are the key properties of 2-pyridin-3-yl-1-thieno[3,2-b]thiophen-5-ylethanamine?
2-pyridin-3-yl-1-thieno[3,2-b]thiophen-5-ylethanamine has a molecular weight of 260.39 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1-thieno[3,2-b]thiophen-5-ylethanamine is sourced from PubChem (CID 105034758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).