2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanol

C13H13NOS3 — CID 115826177

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanol
SMILESCc1nc(CC(O)c2cc3sccc3s2)sc1C
InChIInChI=1S/C13H13NOS3/c1-7-8(2)17-13(14-7)5-9(15)11-6-12-10(18-11)3-4-16-12/h3-4,6,9,15H,5H2,1-2H3
InChIKeyQIHYGIODVVFLIR-UHFFFAOYSA-N
MW295.45 g/mol
LogP4.31
Rot. Bonds3

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanol

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanol (PubChem CID 115826177) has the molecular formula C13H13NOS3 and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanol.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanol
PubChem CID115826177
Molecular FormulaC13H13NOS3
Molecular Weight295.45 g/mol
Exact Mass295.02
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanol
SMILESCc1nc(CC(O)c2cc3sccc3s2)sc1C
InChIInChI=1S/C13H13NOS3/c1-7-8(2)17-13(14-7)5-9(15)11-6-12-10(18-11)3-4-16-12/h3-4,6,9,15H,5H2,1-2H3
InChIKeyQIHYGIODVVFLIR-UHFFFAOYSA-N
XLogP4.31
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanol with MolForge

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Related Compounds

1-thieno[3,2-b]thiophen-5-ylbutan-1-ol
CID 115780945
5-methyl-1-thieno[3,2-b]thiophen-5-ylhexan-1-ol
CID 115830002
2-(4-chloro-3-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanol
CID 107894377
1-thieno[3,2-b]thiophen-5-yloctan-1-ol
CID 115783186
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol
CID 115826146
5,5,5-trifluoro-1-thieno[3,2-b]thiophen-5-ylpentan-1-ol
CID 115828390
chloro(thieno[3,2-b]thiophen-5-yl)methanol
CID 123645090
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanol
CID 115816337
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-methyl-3-pyridinyl)ethanol
CID 104823085
1-(3-bromo-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 115826147
[4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol
CID 80744923
(5-methylthiophen-3-yl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 115807767

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanol?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanol (CID 115826177) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanol.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanol?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanol is Cc1nc(CC(O)c2cc3sccc3s2)sc1C.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanol?
The InChIKey is QIHYGIODVVFLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS3/c1-7-8(2)17-13(14-7)5-9(15)11-6-12-10(18-11)3-4-16-12/h3-4,6,9,15H,5H2,1-2H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanol?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanol has a molecular weight of 295.45 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanol is sourced from PubChem (CID 115826177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).