(5-ethoxy-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanol

C14H13NO2S2 — CID 115829098

IUPAC(5-ethoxy-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanol
SMILESCCOc1cncc(C(O)c2cc3sccc3s2)c1
InChIInChI=1S/C14H13NO2S2/c1-2-17-10-5-9(7-15-8-10)14(16)13-6-12-11(19-13)3-4-18-12/h3-8,14,16H,2H2,1H3
InChIKeySFJLROJTNKOMBY-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.84
Rot. Bonds4

About (5-ethoxy-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanol

(5-ethoxy-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanol (PubChem CID 115829098) has the molecular formula C14H13NO2S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is (5-ethoxy-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanol.

Molecular Properties

Compound Name(5-ethoxy-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanol
PubChem CID115829098
Molecular FormulaC14H13NO2S2
Molecular Weight291.40 g/mol
Exact Mass291.04
IUPAC Name(5-ethoxy-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanol
SMILESCCOc1cncc(C(O)c2cc3sccc3s2)c1
InChIInChI=1S/C14H13NO2S2/c1-2-17-10-5-9(7-15-8-10)14(16)13-6-12-11(19-13)3-4-18-12/h3-8,14,16H,2H2,1H3
InChIKeySFJLROJTNKOMBY-UHFFFAOYSA-N
XLogP3.84
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(5-propoxy-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine
CID 105330163
N-[(3-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 105022309
[4-(2-methylbutan-2-yl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol
CID 80738896
(5-methylthiophen-3-yl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 115807767
(5-ethoxy-3-pyridinyl)-(2-fluoro-5-methylphenyl)methanol
CID 115828977
[4-(2-methoxyethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol
CID 80746017
(4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 80745407
(2-bromo-4-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80745438
(5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanamine
CID 105026408
(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 114979263
1-(5-ethoxy-3-pyridinyl)-3-ethylpentane-1,2-diol
CID 103459699
(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanol
CID 114885772

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanol?
The IUPAC name of (5-ethoxy-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanol (CID 115829098) is (5-ethoxy-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanol.
What is the SMILES notation for (5-ethoxy-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanol?
The canonical SMILES for (5-ethoxy-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanol is CCOc1cncc(C(O)c2cc3sccc3s2)c1.
What is the InChIKey of (5-ethoxy-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanol?
The InChIKey is SFJLROJTNKOMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S2/c1-2-17-10-5-9(7-15-8-10)14(16)13-6-12-11(19-13)3-4-18-12/h3-8,14,16H,2H2,1H3.
What are the key properties of (5-ethoxy-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanol?
(5-ethoxy-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanol has a molecular weight of 291.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanol is sourced from PubChem (CID 115829098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).