4-(thiadiazol-4-yl)benzamide

C9H7N3OS — CID 2739359

IUPAC4-(thiadiazol-4-yl)benzamide
SMILESNC(=O)c1ccc(-c2csnn2)cc1
InChIInChI=1S/C9H7N3OS/c10-9(13)7-3-1-6(2-4-7)8-5-14-12-11-8/h1-5H,(H2,10,13)
InChIKeyPAVNUEROKSNSDS-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.30
Rot. Bonds2

About 4-(thiadiazol-4-yl)benzamide

4-(thiadiazol-4-yl)benzamide (PubChem CID 2739359) has the molecular formula C9H7N3OS and a molecular weight of 205.24 g/mol. Its IUPAC name is 4-(thiadiazol-4-yl)benzamide.

Molecular Properties

Compound Name4-(thiadiazol-4-yl)benzamide
PubChem CID2739359
Molecular FormulaC9H7N3OS
Molecular Weight205.24 g/mol
Exact Mass205.03
IUPAC Name4-(thiadiazol-4-yl)benzamide
SMILESNC(=O)c1ccc(-c2csnn2)cc1
InChIInChI=1S/C9H7N3OS/c10-9(13)7-3-1-6(2-4-7)8-5-14-12-11-8/h1-5H,(H2,10,13)
InChIKeyPAVNUEROKSNSDS-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 4-(thiadiazol-4-yl)benzamide?
The IUPAC name of 4-(thiadiazol-4-yl)benzamide (CID 2739359) is 4-(thiadiazol-4-yl)benzamide.
What is the SMILES notation for 4-(thiadiazol-4-yl)benzamide?
The canonical SMILES for 4-(thiadiazol-4-yl)benzamide is NC(=O)c1ccc(-c2csnn2)cc1.
What is the InChIKey of 4-(thiadiazol-4-yl)benzamide?
The InChIKey is PAVNUEROKSNSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3OS/c10-9(13)7-3-1-6(2-4-7)8-5-14-12-11-8/h1-5H,(H2,10,13).
What are the key properties of 4-(thiadiazol-4-yl)benzamide?
4-(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 4-(thiadiazol-4-yl)benzamide is sourced from PubChem (CID 2739359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).