5-(3,5-dimethylpiperidin-1-yl)-1,2,4-thiadiazole

C9H15N3S — CID 89385947

IUPAC5-(3,5-dimethylpiperidin-1-yl)-1,2,4-thiadiazole
SMILESCC1CC(C)CN(c2ncns2)C1
InChIInChI=1S/C9H15N3S/c1-7-3-8(2)5-12(4-7)9-10-6-11-13-9/h6-8H,3-5H2,1-2H3
InChIKeySEJZXMYRGJPEEX-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.02
Rot. Bonds1

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

5-(3,5-dimethylpiperidin-1-yl)-1,2,4-thiadiazole (PubChem CID 89385947) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidin-1-yl)-1,2,4-thiadiazole
PubChem CID89385947
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name5-(3,5-dimethylpiperidin-1-yl)-1,2,4-thiadiazole
SMILESCC1CC(C)CN(c2ncns2)C1
InChIInChI=1S/C9H15N3S/c1-7-3-8(2)5-12(4-7)9-10-6-11-13-9/h6-8H,3-5H2,1-2H3
InChIKeySEJZXMYRGJPEEX-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)-1,2,4-thiadiazole (CID 89385947) is 5-(3,5-dimethylpiperidin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)-1,2,4-thiadiazole is CC1CC(C)CN(c2ncns2)C1.
What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)-1,2,4-thiadiazole?
The InChIKey is SEJZXMYRGJPEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-7-3-8(2)5-12(4-7)9-10-6-11-13-9/h6-8H,3-5H2,1-2H3.
What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)-1,2,4-thiadiazole?
5-(3,5-dimethylpiperidin-1-yl)-1,2,4-thiadiazole has a molecular weight of 197.31 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperidin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 89385947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).