1-benzothiophen-7-yl-(4-methylthiadiazol-5-yl)methanone

C12H8N2OS2 — CID 105122113

IUPAC1-benzothiophen-7-yl-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)c1cccc2ccsc12
InChIInChI=1S/C12H8N2OS2/c1-7-11(17-14-13-7)10(15)9-4-2-3-8-5-6-16-12(8)9/h2-6H,1H3
InChIKeyNYFOXLHQRRXTOA-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.29
Rot. Bonds2

About 1-benzothiophen-7-yl-(4-methylthiadiazol-5-yl)methanone

1-benzothiophen-7-yl-(4-methylthiadiazol-5-yl)methanone (PubChem CID 105122113) has the molecular formula C12H8N2OS2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(4-methylthiadiazol-5-yl)methanone
PubChem CID105122113
Molecular FormulaC12H8N2OS2
Molecular Weight260.34 g/mol
Exact Mass260.01
IUPAC Name1-benzothiophen-7-yl-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)c1cccc2ccsc12
InChIInChI=1S/C12H8N2OS2/c1-7-11(17-14-13-7)10(15)9-4-2-3-8-5-6-16-12(8)9/h2-6H,1H3
InChIKeyNYFOXLHQRRXTOA-UHFFFAOYSA-N
XLogP3.29
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of 1-benzothiophen-7-yl-(4-methylthiadiazol-5-yl)methanone (CID 105122113) is 1-benzothiophen-7-yl-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for 1-benzothiophen-7-yl-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for 1-benzothiophen-7-yl-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)c1cccc2ccsc12.
What is the InChIKey of 1-benzothiophen-7-yl-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is NYFOXLHQRRXTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS2/c1-7-11(17-14-13-7)10(15)9-4-2-3-8-5-6-16-12(8)9/h2-6H,1H3.
What are the key properties of 1-benzothiophen-7-yl-(4-methylthiadiazol-5-yl)methanone?
1-benzothiophen-7-yl-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 260.34 g/mol, XLogP of 3.29, 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-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 105122113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).