1-benzothiophen-7-yl(thiadiazol-4-yl)methanol

C11H8N2OS2 — CID 105119193

IUPAC1-benzothiophen-7-yl(thiadiazol-4-yl)methanol
SMILESOC(c1csnn1)c1cccc2ccsc12
InChIInChI=1S/C11H8N2OS2/c14-10(9-6-16-13-12-9)8-3-1-2-7-4-5-15-11(7)8/h1-6,10,14H
InChIKeyZRMULQWNDXWJGU-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.83
Rot. Bonds2

About 1-benzothiophen-7-yl(thiadiazol-4-yl)methanol

1-benzothiophen-7-yl(thiadiazol-4-yl)methanol (PubChem CID 105119193) has the molecular formula C11H8N2OS2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-benzothiophen-7-yl(thiadiazol-4-yl)methanol.

Molecular Properties

Compound Name1-benzothiophen-7-yl(thiadiazol-4-yl)methanol
PubChem CID105119193
Molecular FormulaC11H8N2OS2
Molecular Weight248.33 g/mol
Exact Mass248.01
IUPAC Name1-benzothiophen-7-yl(thiadiazol-4-yl)methanol
SMILESOC(c1csnn1)c1cccc2ccsc12
InChIInChI=1S/C11H8N2OS2/c14-10(9-6-16-13-12-9)8-3-1-2-7-4-5-15-11(7)8/h1-6,10,14H
InChIKeyZRMULQWNDXWJGU-UHFFFAOYSA-N
XLogP2.83
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-benzothiophen-7-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105172720
[1-benzothiophen-7-yl(thiadiazol-4-yl)methyl]hydrazine
CID 105327655
1-benzothiophen-7-yl-(5-bromothiophen-3-yl)methanol
CID 105119099
1-benzothiophen-7-yl-(4-bromothiophen-2-yl)methanol
CID 81154092
1-benzothiophen-7-yl(quinolin-4-yl)methanol
CID 81132794
1-benzothiophen-7-yl-(3,4-dimethoxyphenyl)methanol
CID 81131841
1-benzothiophen-7-yl-[4-(dimethylamino)phenyl]methanol
CID 81141860
1-benzothiophen-7-yl-(2,5-dibromophenyl)methanol
CID 115827334
1-benzothiophen-7-yl-(2,5-difluorophenyl)methanol
CID 81142378
1-benzothiophen-7-yl-(2,4-difluorophenyl)methanol
CID 81141862
1-benzothiophen-7-yl-(2-bromofuran-3-yl)methanol
CID 106859446
1-(1-benzothiophen-7-yl)-2-methylpropane-1,2-diol
CID 103448864

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl(thiadiazol-4-yl)methanol?
The IUPAC name of 1-benzothiophen-7-yl(thiadiazol-4-yl)methanol (CID 105119193) is 1-benzothiophen-7-yl(thiadiazol-4-yl)methanol.
What is the SMILES notation for 1-benzothiophen-7-yl(thiadiazol-4-yl)methanol?
The canonical SMILES for 1-benzothiophen-7-yl(thiadiazol-4-yl)methanol is OC(c1csnn1)c1cccc2ccsc12.
What is the InChIKey of 1-benzothiophen-7-yl(thiadiazol-4-yl)methanol?
The InChIKey is ZRMULQWNDXWJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS2/c14-10(9-6-16-13-12-9)8-3-1-2-7-4-5-15-11(7)8/h1-6,10,14H.
What are the key properties of 1-benzothiophen-7-yl(thiadiazol-4-yl)methanol?
1-benzothiophen-7-yl(thiadiazol-4-yl)methanol has a molecular weight of 248.33 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl(thiadiazol-4-yl)methanol is sourced from PubChem (CID 105119193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).