2-methyl-5-piperidin-1-yl-1,3,4-thiadiazole

C8H13N3S — CID 86769314

IUPAC2-methyl-5-piperidin-1-yl-1,3,4-thiadiazole
SMILESCc1nnc(N2CCCCC2)s1
InChIInChI=1S/C8H13N3S/c1-7-9-10-8(12-7)11-5-3-2-4-6-11/h2-6H2,1H3
InChIKeyIIDJDXATFNHHGO-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.84
Rot. Bonds1

About 2-methyl-5-piperidin-1-yl-1,3,4-thiadiazole

2-methyl-5-piperidin-1-yl-1,3,4-thiadiazole (PubChem CID 86769314) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-methyl-5-piperidin-1-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-piperidin-1-yl-1,3,4-thiadiazole
PubChem CID86769314
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name2-methyl-5-piperidin-1-yl-1,3,4-thiadiazole
SMILESCc1nnc(N2CCCCC2)s1
InChIInChI=1S/C8H13N3S/c1-7-9-10-8(12-7)11-5-3-2-4-6-11/h2-6H2,1H3
InChIKeyIIDJDXATFNHHGO-UHFFFAOYSA-N
XLogP1.84
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperidin-1-yl-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-piperidin-1-yl-1,3,4-thiadiazole (CID 86769314) is 2-methyl-5-piperidin-1-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-piperidin-1-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-piperidin-1-yl-1,3,4-thiadiazole is Cc1nnc(N2CCCCC2)s1.
What is the InChIKey of 2-methyl-5-piperidin-1-yl-1,3,4-thiadiazole?
The InChIKey is IIDJDXATFNHHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-7-9-10-8(12-7)11-5-3-2-4-6-11/h2-6H2,1H3.
What are the key properties of 2-methyl-5-piperidin-1-yl-1,3,4-thiadiazole?
2-methyl-5-piperidin-1-yl-1,3,4-thiadiazole has a molecular weight of 183.28 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperidin-1-yl-1,3,4-thiadiazole is sourced from PubChem (CID 86769314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).