3-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole

C8H11N3S — CID 54392141

IUPAC3-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole
SMILESCC1NCCC=C1c1cnsn1
InChIInChI=1S/C8H11N3S/c1-6-7(3-2-4-9-6)8-5-10-12-11-8/h3,5-6,9H,2,4H2,1H3
InChIKeyVHJUKPVZGCBNDM-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.30
Rot. Bonds1

About 3-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole

3-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole (PubChem CID 54392141) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 3-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole
PubChem CID54392141
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name3-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole
SMILESCC1NCCC=C1c1cnsn1
InChIInChI=1S/C8H11N3S/c1-6-7(3-2-4-9-6)8-5-10-12-11-8/h3,5-6,9H,2,4H2,1H3
InChIKeyVHJUKPVZGCBNDM-UHFFFAOYSA-N
XLogP1.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole (CID 54392141) is 3-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole is CC1NCCC=C1c1cnsn1.
What is the InChIKey of 3-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole?
The InChIKey is VHJUKPVZGCBNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-6-7(3-2-4-9-6)8-5-10-12-11-8/h3,5-6,9H,2,4H2,1H3.
What are the key properties of 3-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole?
3-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole has a molecular weight of 181.26 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 54392141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).