4-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]benzamide

C12H12N4O2S3 — CID 6459068

IUPAC4-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]benzamide
SMILESCSc1nsc(SCC(=O)Nc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C12H12N4O2S3/c1-19-11-15-12(21-16-11)20-6-9(17)14-8-4-2-7(3-5-8)10(13)18/h2-5H,6H2,1H3,(H2,13,18)(H,14,17)
InChIKeyPRZQFIIWCVSOED-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.09
Rot. Bonds6

About 4-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]benzamide

4-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]benzamide (PubChem CID 6459068) has the molecular formula C12H12N4O2S3 and a molecular weight of 340.46 g/mol. Its IUPAC name is 4-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]benzamide
PubChem CID6459068
Molecular FormulaC12H12N4O2S3
Molecular Weight340.46 g/mol
Exact Mass340.01
IUPAC Name4-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]benzamide
SMILESCSc1nsc(SCC(=O)Nc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C12H12N4O2S3/c1-19-11-15-12(21-16-11)20-6-9(17)14-8-4-2-7(3-5-8)10(13)18/h2-5H,6H2,1H3,(H2,13,18)(H,14,17)
InChIKeyPRZQFIIWCVSOED-UHFFFAOYSA-N
XLogP2.09
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]benzamide (CID 6459068) is 4-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]benzamide is CSc1nsc(SCC(=O)Nc2ccc(C(N)=O)cc2)n1.
What is the InChIKey of 4-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]benzamide?
The InChIKey is PRZQFIIWCVSOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S3/c1-19-11-15-12(21-16-11)20-6-9(17)14-8-4-2-7(3-5-8)10(13)18/h2-5H,6H2,1H3,(H2,13,18)(H,14,17).
What are the key properties of 4-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]benzamide?
4-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]benzamide has a molecular weight of 340.46 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 6459068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).