2-(thiadiazol-4-yl)benzamide

C9H7N3OS — CID 19912049

IUPAC2-(thiadiazol-4-yl)benzamide
SMILESNC(=O)c1ccccc1-c1csnn1
InChIInChI=1S/C9H7N3OS/c10-9(13)7-4-2-1-3-6(7)8-5-14-12-11-8/h1-5H,(H2,10,13)
InChIKeyCIOKCTWCCDYOMK-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.30
Rot. Bonds2

About 2-(thiadiazol-4-yl)benzamide

2-(thiadiazol-4-yl)benzamide (PubChem CID 19912049) has the molecular formula C9H7N3OS and a molecular weight of 205.24 g/mol. Its IUPAC name is 2-(thiadiazol-4-yl)benzamide.

Molecular Properties

Compound Name2-(thiadiazol-4-yl)benzamide
PubChem CID19912049
Molecular FormulaC9H7N3OS
Molecular Weight205.24 g/mol
Exact Mass205.03
IUPAC Name2-(thiadiazol-4-yl)benzamide
SMILESNC(=O)c1ccccc1-c1csnn1
InChIInChI=1S/C9H7N3OS/c10-9(13)7-4-2-1-3-6(7)8-5-14-12-11-8/h1-5H,(H2,10,13)
InChIKeyCIOKCTWCCDYOMK-UHFFFAOYSA-N
XLogP1.30
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(thiadiazol-4-yl)benzamide?
The IUPAC name of 2-(thiadiazol-4-yl)benzamide (CID 19912049) is 2-(thiadiazol-4-yl)benzamide.
What is the SMILES notation for 2-(thiadiazol-4-yl)benzamide?
The canonical SMILES for 2-(thiadiazol-4-yl)benzamide is NC(=O)c1ccccc1-c1csnn1.
What is the InChIKey of 2-(thiadiazol-4-yl)benzamide?
The InChIKey is CIOKCTWCCDYOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3OS/c10-9(13)7-4-2-1-3-6(7)8-5-14-12-11-8/h1-5H,(H2,10,13).
What are the key properties of 2-(thiadiazol-4-yl)benzamide?
2-(thiadiazol-4-yl)benzamide has a molecular weight of 205.24 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiadiazol-4-yl)benzamide is sourced from PubChem (CID 19912049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).