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

C7H9N3S — CID 19705379

IUPAC3-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole
SMILESC1=C(c2cnsn2)CNCC1
InChIInChI=1S/C7H9N3S/c1-2-6(4-8-3-1)7-5-9-11-10-7/h2,5,8H,1,3-4H2
InChIKeyNXCOVGCKVJBPTP-UHFFFAOYSA-N
MW167.24 g/mol
LogP0.91
Rot. Bonds1

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

3-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole (PubChem CID 19705379) has the molecular formula C7H9N3S and a molecular weight of 167.24 g/mol. Its IUPAC name is 3-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole
PubChem CID19705379
Molecular FormulaC7H9N3S
Molecular Weight167.24 g/mol
Exact Mass167.05
IUPAC Name3-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole
SMILESC1=C(c2cnsn2)CNCC1
InChIInChI=1S/C7H9N3S/c1-2-6(4-8-3-1)7-5-9-11-10-7/h2,5,8H,1,3-4H2
InChIKeyNXCOVGCKVJBPTP-UHFFFAOYSA-N
XLogP0.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.24
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole (CID 19705379) is 3-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole is C1=C(c2cnsn2)CNCC1.
What is the InChIKey of 3-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole?
The InChIKey is NXCOVGCKVJBPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S/c1-2-6(4-8-3-1)7-5-9-11-10-7/h2,5,8H,1,3-4H2.
What are the key properties of 3-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole?
3-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole has a molecular weight of 167.24 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 19705379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).