1-benzothiophen-7-yl(1,2,5-thiadiazol-3-yl)methanone

C11H6N2OS2 — CID 105122061

IUPAC1-benzothiophen-7-yl(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)c1cccc2ccsc12
InChIInChI=1S/C11H6N2OS2/c14-10(9-6-12-16-13-9)8-3-1-2-7-4-5-15-11(7)8/h1-6H
InChIKeyLXLRUXXDMRDBAJ-UHFFFAOYSA-N
MW246.32 g/mol
LogP2.98
Rot. Bonds2

About 1-benzothiophen-7-yl(1,2,5-thiadiazol-3-yl)methanone

1-benzothiophen-7-yl(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 105122061) has the molecular formula C11H6N2OS2 and a molecular weight of 246.32 g/mol. Its IUPAC name is 1-benzothiophen-7-yl(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-7-yl(1,2,5-thiadiazol-3-yl)methanone
PubChem CID105122061
Molecular FormulaC11H6N2OS2
Molecular Weight246.32 g/mol
Exact Mass245.99
IUPAC Name1-benzothiophen-7-yl(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)c1cccc2ccsc12
InChIInChI=1S/C11H6N2OS2/c14-10(9-6-12-16-13-9)8-3-1-2-7-4-5-15-11(7)8/h1-6H
InChIKeyLXLRUXXDMRDBAJ-UHFFFAOYSA-N
XLogP2.98
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone
CID 105081414
1-benzothiophen-7-yl-(2,6-dichlorophenyl)methanone
CID 115791052
1-benzothiophen-7-yl-(2-fluorophenyl)methanone
CID 81152936
(2,3-dichlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone
CID 105094942
1-benzothiophen-7-yl-(4-bromophenyl)methanone
CID 81153042
1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methanone
CID 81153366
1-benzothiophen-7-yl-(3,4,5-trifluorophenyl)methanone
CID 81153538
1-benzothiophen-7-yl-(4-methylthiadiazol-5-yl)methanone
CID 105122113
1-(1-benzothiophen-7-yl)-2-methylpropan-1-one
CID 81153250
1-(1-benzothiophen-7-yl)-2-chloroethanone
CID 130948738
1-benzothiophen-7-yl-(3,4-difluorophenyl)methanone
CID 81154298
1-benzothiophen-7-yl-(2,5-difluorophenyl)methanone
CID 81153363

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of 1-benzothiophen-7-yl(1,2,5-thiadiazol-3-yl)methanone (CID 105122061) is 1-benzothiophen-7-yl(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for 1-benzothiophen-7-yl(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for 1-benzothiophen-7-yl(1,2,5-thiadiazol-3-yl)methanone is O=C(c1cnsn1)c1cccc2ccsc12.
What is the InChIKey of 1-benzothiophen-7-yl(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is LXLRUXXDMRDBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2OS2/c14-10(9-6-12-16-13-9)8-3-1-2-7-4-5-15-11(7)8/h1-6H.
What are the key properties of 1-benzothiophen-7-yl(1,2,5-thiadiazol-3-yl)methanone?
1-benzothiophen-7-yl(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 246.32 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 105122061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).