N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide

C11H9N3O2S2 — CID 7499620

IUPACN-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide
SMILESO=C(CSc1nncs1)NC(=O)c1ccccc1
InChIInChI=1S/C11H9N3O2S2/c15-9(6-17-11-14-12-7-18-11)13-10(16)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,15,16)
InChIKeyGPDORVUTJPLGPQ-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.59
Rot. Bonds4

About N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide

N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide (PubChem CID 7499620) has the molecular formula C11H9N3O2S2 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide.

Molecular Properties

Compound NameN-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide
PubChem CID7499620
Molecular FormulaC11H9N3O2S2
Molecular Weight279.35 g/mol
Exact Mass279.01
IUPAC NameN-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide
SMILESO=C(CSc1nncs1)NC(=O)c1ccccc1
InChIInChI=1S/C11H9N3O2S2/c15-9(6-17-11-14-12-7-18-11)13-10(16)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,15,16)
InChIKeyGPDORVUTJPLGPQ-UHFFFAOYSA-N
XLogP1.59
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzamide
CID 7898067
4-methyl-N-{[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetyl}benzamide
CID 1294565
4-(dimethylsulfamoyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide
CID 2578078
phenyl-N-(2-(1,3-thiazolin-2-ylthio)acetyl)carboxamide
CID 728040
N,N-dimethyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide
CID 78766467
2-fluoro-N'-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzohydrazide
CID 8302691
4-fluoro-N'-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzohydrazide
CID 16377938
1-[4-(4-Fluorobenzoyl)piperazin-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 87015318
N-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}benzamide
CID 4414787
2-(1,3,4-Thiadiazol-2-ylsulfanyl)benzamide
CID 18399793
N-carbamoylbenzamide;1,3,4-thiadiazole
CID 174576753
Benzamide;1,3,4-thiadiazole
CID 175189831

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide?
The IUPAC name of N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide (CID 7499620) is N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide.
What is the SMILES notation for N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide?
The canonical SMILES for N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide is O=C(CSc1nncs1)NC(=O)c1ccccc1.
What is the InChIKey of N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide?
The InChIKey is GPDORVUTJPLGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S2/c15-9(6-17-11-14-12-7-18-11)13-10(16)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,15,16).
What are the key properties of N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide?
N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide has a molecular weight of 279.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide is sourced from PubChem (CID 7499620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).