2-(3,6-dihydro-2H-pyridin-1-yl)-5-methyl-1,3,4-thiadiazole

C8H11N3S — CID 130614265

IUPAC2-(3,6-dihydro-2H-pyridin-1-yl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CC=CCC2)s1
InChIInChI=1S/C8H11N3S/c1-7-9-10-8(12-7)11-5-3-2-4-6-11/h2-3H,4-6H2,1H3
InChIKeyGBNWAMZBZRXTGZ-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.61
Rot. Bonds1

About 2-(3,6-dihydro-2H-pyridin-1-yl)-5-methyl-1,3,4-thiadiazole

2-(3,6-dihydro-2H-pyridin-1-yl)-5-methyl-1,3,4-thiadiazole (PubChem CID 130614265) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyridin-1-yl)-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyridin-1-yl)-5-methyl-1,3,4-thiadiazole
PubChem CID130614265
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name2-(3,6-dihydro-2H-pyridin-1-yl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CC=CCC2)s1
InChIInChI=1S/C8H11N3S/c1-7-9-10-8(12-7)11-5-3-2-4-6-11/h2-3H,4-6H2,1H3
InChIKeyGBNWAMZBZRXTGZ-UHFFFAOYSA-N
XLogP1.61
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)-5-methyl-1,3,4-thiadiazole (CID 130614265) is 2-(3,6-dihydro-2H-pyridin-1-yl)-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyridin-1-yl)-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(3,6-dihydro-2H-pyridin-1-yl)-5-methyl-1,3,4-thiadiazole is Cc1nnc(N2CC=CCC2)s1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyridin-1-yl)-5-methyl-1,3,4-thiadiazole?
The InChIKey is GBNWAMZBZRXTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-7-9-10-8(12-7)11-5-3-2-4-6-11/h2-3H,4-6H2,1H3.
What are the key properties of 2-(3,6-dihydro-2H-pyridin-1-yl)-5-methyl-1,3,4-thiadiazole?
2-(3,6-dihydro-2H-pyridin-1-yl)-5-methyl-1,3,4-thiadiazole has a molecular weight of 181.26 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyridin-1-yl)-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 130614265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).