3-methyl-5-(1-methylpiperidin-3-yl)-1,2,4-thiadiazole

C9H15N3S — CID 58487588

IUPAC3-methyl-5-(1-methylpiperidin-3-yl)-1,2,4-thiadiazole
SMILESCc1nsc(C2CCCN(C)C2)n1
InChIInChI=1S/C9H15N3S/c1-7-10-9(13-11-7)8-4-3-5-12(2)6-8/h8H,3-6H2,1-2H3
InChIKeyLJAAFSZJQOIEES-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.66
Rot. Bonds1

About 3-methyl-5-(1-methylpiperidin-3-yl)-1,2,4-thiadiazole

3-methyl-5-(1-methylpiperidin-3-yl)-1,2,4-thiadiazole (PubChem CID 58487588) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 3-methyl-5-(1-methylpiperidin-3-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-(1-methylpiperidin-3-yl)-1,2,4-thiadiazole
PubChem CID58487588
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name3-methyl-5-(1-methylpiperidin-3-yl)-1,2,4-thiadiazole
SMILESCc1nsc(C2CCCN(C)C2)n1
InChIInChI=1S/C9H15N3S/c1-7-10-9(13-11-7)8-4-3-5-12(2)6-8/h8H,3-6H2,1-2H3
InChIKeyLJAAFSZJQOIEES-UHFFFAOYSA-N
XLogP1.66
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-methylpiperidin-3-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-(1-methylpiperidin-3-yl)-1,2,4-thiadiazole (CID 58487588) is 3-methyl-5-(1-methylpiperidin-3-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-(1-methylpiperidin-3-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-(1-methylpiperidin-3-yl)-1,2,4-thiadiazole is Cc1nsc(C2CCCN(C)C2)n1.
What is the InChIKey of 3-methyl-5-(1-methylpiperidin-3-yl)-1,2,4-thiadiazole?
The InChIKey is LJAAFSZJQOIEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-7-10-9(13-11-7)8-4-3-5-12(2)6-8/h8H,3-6H2,1-2H3.
What are the key properties of 3-methyl-5-(1-methylpiperidin-3-yl)-1,2,4-thiadiazole?
3-methyl-5-(1-methylpiperidin-3-yl)-1,2,4-thiadiazole has a molecular weight of 197.31 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-methylpiperidin-3-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 58487588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).