5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-thiadiazole;hydrochloride

C7H10ClN3S — CID 154673770

IUPAC5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-thiadiazole;hydrochloride
SMILESC1=C(c2ncns2)CCNC1.Cl
InChIInChI=1S/C7H9N3S.ClH/c1-3-8-4-2-6(1)7-9-5-10-11-7;/h1,5,8H,2-4H2;1H
InChIKeyJNARZRGULCDPIW-UHFFFAOYSA-N
MW203.70 g/mol
LogP1.34
Rot. Bonds1

About 5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-thiadiazole;hydrochloride

5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-thiadiazole;hydrochloride (PubChem CID 154673770) has the molecular formula C7H10ClN3S and a molecular weight of 203.70 g/mol. Its IUPAC name is 5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-thiadiazole;hydrochloride.

Molecular Properties

Compound Name5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-thiadiazole;hydrochloride
PubChem CID154673770
Molecular FormulaC7H10ClN3S
Molecular Weight203.70 g/mol
Exact Mass203.03
IUPAC Name5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-thiadiazole;hydrochloride
SMILESC1=C(c2ncns2)CCNC1.Cl
InChIInChI=1S/C7H9N3S.ClH/c1-3-8-4-2-6(1)7-9-5-10-11-7;/h1,5,8H,2-4H2;1H
InChIKeyJNARZRGULCDPIW-UHFFFAOYSA-N
XLogP1.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.70
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-thiadiazole;hydrochloride?
The IUPAC name of 5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-thiadiazole;hydrochloride (CID 154673770) is 5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-thiadiazole;hydrochloride.
What is the SMILES notation for 5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-thiadiazole;hydrochloride?
The canonical SMILES for 5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-thiadiazole;hydrochloride is C1=C(c2ncns2)CCNC1.Cl.
What is the InChIKey of 5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-thiadiazole;hydrochloride?
The InChIKey is JNARZRGULCDPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S.ClH/c1-3-8-4-2-6(1)7-9-5-10-11-7;/h1,5,8H,2-4H2;1H.
What are the key properties of 5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-thiadiazole;hydrochloride?
5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-thiadiazole;hydrochloride has a molecular weight of 203.70 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-thiadiazole;hydrochloride is sourced from PubChem (CID 154673770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).