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

C9H15N3S — CID 163855780

IUPAC5-methyl-3-(4-methylpiperidin-4-yl)-1,2,4-thiadiazole
SMILESCc1nc(C2(C)CCNCC2)ns1
InChIInChI=1S/C9H15N3S/c1-7-11-8(12-13-7)9(2)3-5-10-6-4-9/h10H,3-6H2,1-2H3
InChIKeyGMJIDTWICJCINM-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.49
Rot. Bonds1

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

5-methyl-3-(4-methylpiperidin-4-yl)-1,2,4-thiadiazole (PubChem CID 163855780) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 5-methyl-3-(4-methylpiperidin-4-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-methyl-3-(4-methylpiperidin-4-yl)-1,2,4-thiadiazole
PubChem CID163855780
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name5-methyl-3-(4-methylpiperidin-4-yl)-1,2,4-thiadiazole
SMILESCc1nc(C2(C)CCNCC2)ns1
InChIInChI=1S/C9H15N3S/c1-7-11-8(12-13-7)9(2)3-5-10-6-4-9/h10H,3-6H2,1-2H3
InChIKeyGMJIDTWICJCINM-UHFFFAOYSA-N
XLogP1.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-methylpiperidin-4-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-methyl-3-(4-methylpiperidin-4-yl)-1,2,4-thiadiazole (CID 163855780) is 5-methyl-3-(4-methylpiperidin-4-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-methyl-3-(4-methylpiperidin-4-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-methyl-3-(4-methylpiperidin-4-yl)-1,2,4-thiadiazole is Cc1nc(C2(C)CCNCC2)ns1.
What is the InChIKey of 5-methyl-3-(4-methylpiperidin-4-yl)-1,2,4-thiadiazole?
The InChIKey is GMJIDTWICJCINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-7-11-8(12-13-7)9(2)3-5-10-6-4-9/h10H,3-6H2,1-2H3.
What are the key properties of 5-methyl-3-(4-methylpiperidin-4-yl)-1,2,4-thiadiazole?
5-methyl-3-(4-methylpiperidin-4-yl)-1,2,4-thiadiazole has a molecular weight of 197.31 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-methylpiperidin-4-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 163855780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).