2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-piperidin-1-ylethanone

C16H19N3OS2 — CID 7119372

IUPAC2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-piperidin-1-ylethanone
SMILESCc1ccccc1-c1nsc(SCC(=O)N2CCCCC2)n1
InChIInChI=1S/C16H19N3OS2/c1-12-7-3-4-8-13(12)15-17-16(22-18-15)21-11-14(20)19-9-5-2-6-10-19/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyZFZOXVUCTBZFJU-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.62
Rot. Bonds4

About 2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-piperidin-1-ylethanone

2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-piperidin-1-ylethanone (PubChem CID 7119372) has the molecular formula C16H19N3OS2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-piperidin-1-ylethanone
PubChem CID7119372
Molecular FormulaC16H19N3OS2
Molecular Weight333.48 g/mol
Exact Mass333.10
IUPAC Name2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-piperidin-1-ylethanone
SMILESCc1ccccc1-c1nsc(SCC(=O)N2CCCCC2)n1
InChIInChI=1S/C16H19N3OS2/c1-12-7-3-4-8-13(12)15-17-16(22-18-15)21-11-14(20)19-9-5-2-6-10-19/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyZFZOXVUCTBZFJU-UHFFFAOYSA-N
XLogP3.62
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-piperidin-1-ylethanone (CID 7119372) is 2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-piperidin-1-ylethanone is Cc1ccccc1-c1nsc(SCC(=O)N2CCCCC2)n1.
What is the InChIKey of 2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-piperidin-1-ylethanone?
The InChIKey is ZFZOXVUCTBZFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS2/c1-12-7-3-4-8-13(12)15-17-16(22-18-15)21-11-14(20)19-9-5-2-6-10-19/h3-4,7-8H,2,5-6,9-11H2,1H3.
What are the key properties of 2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-piperidin-1-ylethanone?
2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-piperidin-1-ylethanone has a molecular weight of 333.48 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 7119372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).