3-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)phenol

C14H8N2O2S2 — CID 78960928

IUPAC3-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)phenol
SMILESOc1cccc(-c2noc(-c3cc4sccc4s3)n2)c1
InChIInChI=1S/C14H8N2O2S2/c17-9-3-1-2-8(6-9)13-15-14(18-16-13)12-7-11-10(20-12)4-5-19-11/h1-7,17H
InChIKeyGOWCZGNVJQOEEO-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.39
Rot. Bonds2

About 3-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)phenol

3-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)phenol (PubChem CID 78960928) has the molecular formula C14H8N2O2S2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)phenol.

Molecular Properties

Compound Name3-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)phenol
PubChem CID78960928
Molecular FormulaC14H8N2O2S2
Molecular Weight300.36 g/mol
Exact Mass300.00
IUPAC Name3-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)phenol
SMILESOc1cccc(-c2noc(-c3cc4sccc4s3)n2)c1
InChIInChI=1S/C14H8N2O2S2/c17-9-3-1-2-8(6-9)13-15-14(18-16-13)12-7-11-10(20-12)4-5-19-11/h1-7,17H
InChIKeyGOWCZGNVJQOEEO-UHFFFAOYSA-N
XLogP4.39
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(2-amino-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921126
3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 62920980
2-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809760
3-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 63022523
1-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 80746127
3-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 43120309
2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888758
3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 11471260
3-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 43120312
2-fluoro-4-[5-(3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136871097
3-[5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921033
3-[5-[amino(thiophen-2-yl)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921115

Frequently Asked Questions

What is the IUPAC name of 3-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)phenol?
The IUPAC name of 3-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)phenol (CID 78960928) is 3-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)phenol.
What is the SMILES notation for 3-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)phenol?
The canonical SMILES for 3-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)phenol is Oc1cccc(-c2noc(-c3cc4sccc4s3)n2)c1.
What is the InChIKey of 3-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)phenol?
The InChIKey is GOWCZGNVJQOEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O2S2/c17-9-3-1-2-8(6-9)13-15-14(18-16-13)12-7-11-10(20-12)4-5-19-11/h1-7,17H.
What are the key properties of 3-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)phenol?
3-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)phenol has a molecular weight of 300.36 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)phenol is sourced from PubChem (CID 78960928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).