4-methylsulfanyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide

C13H15N3OS2 — CID 100669326

IUPAC4-methylsulfanyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESCCCc1nsc(NC(=O)c2ccc(SC)cc2)n1
InChIInChI=1S/C13H15N3OS2/c1-3-4-11-14-13(19-16-11)15-12(17)9-5-7-10(18-2)8-6-9/h5-8H,3-4H2,1-2H3,(H,14,15,16,17)
InChIKeyVLMCSPVLGXFLIQ-UHFFFAOYSA-N
MW293.42 g/mol
LogP3.46
Rot. Bonds5

About 4-methylsulfanyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide

4-methylsulfanyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide (PubChem CID 100669326) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is 4-methylsulfanyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide
PubChem CID100669326
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC Name4-methylsulfanyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESCCCc1nsc(NC(=O)c2ccc(SC)cc2)n1
InChIInChI=1S/C13H15N3OS2/c1-3-4-11-14-13(19-16-11)15-12(17)9-5-7-10(18-2)8-6-9/h5-8H,3-4H2,1-2H3,(H,14,15,16,17)
InChIKeyVLMCSPVLGXFLIQ-UHFFFAOYSA-N
XLogP3.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide?
The IUPAC name of 4-methylsulfanyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide (CID 100669326) is 4-methylsulfanyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide.
What is the SMILES notation for 4-methylsulfanyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide?
The canonical SMILES for 4-methylsulfanyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide is CCCc1nsc(NC(=O)c2ccc(SC)cc2)n1.
What is the InChIKey of 4-methylsulfanyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide?
The InChIKey is VLMCSPVLGXFLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-3-4-11-14-13(19-16-11)15-12(17)9-5-7-10(18-2)8-6-9/h5-8H,3-4H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-methylsulfanyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide?
4-methylsulfanyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide has a molecular weight of 293.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide is sourced from PubChem (CID 100669326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).