2-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide

C9H7N3OS2 — CID 18399793

IUPAC2-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide
SMILESNC(=O)c1ccccc1Sc1nncs1
InChIInChI=1S/C9H7N3OS2/c10-8(13)6-3-1-2-4-7(6)15-9-12-11-5-14-9/h1-5H,(H2,10,13)
InChIKeyRGLCHKJRQXWWNO-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.79
Rot. Bonds3

About 2-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide

2-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide (PubChem CID 18399793) has the molecular formula C9H7N3OS2 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide.

Molecular Properties

Compound Name2-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide
PubChem CID18399793
Molecular FormulaC9H7N3OS2
Molecular Weight237.31 g/mol
Exact Mass237.00
IUPAC Name2-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide
SMILESNC(=O)c1ccccc1Sc1nncs1
InChIInChI=1S/C9H7N3OS2/c10-8(13)6-3-1-2-4-7(6)15-9-12-11-5-14-9/h1-5H,(H2,10,13)
InChIKeyRGLCHKJRQXWWNO-UHFFFAOYSA-N
XLogP1.79
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide?
The IUPAC name of 2-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide (CID 18399793) is 2-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide.
What is the SMILES notation for 2-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide?
The canonical SMILES for 2-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide is NC(=O)c1ccccc1Sc1nncs1.
What is the InChIKey of 2-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide?
The InChIKey is RGLCHKJRQXWWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3OS2/c10-8(13)6-3-1-2-4-7(6)15-9-12-11-5-14-9/h1-5H,(H2,10,13).
What are the key properties of 2-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide?
2-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide has a molecular weight of 237.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide is sourced from PubChem (CID 18399793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).