2-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5-thiadiazol-3-one

C7H9N3OS — CID 154437198

IUPAC2-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5-thiadiazol-3-one
SMILESO=c1cnsn1C1C=CNCC1
InChIInChI=1S/C7H9N3OS/c11-7-5-9-12-10(7)6-1-3-8-4-2-6/h1,3,5-6,8H,2,4H2
InChIKeyLSDJKZIGRSGGQZ-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.35
Rot. Bonds1

About 2-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5-thiadiazol-3-one

2-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5-thiadiazol-3-one (PubChem CID 154437198) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5-thiadiazol-3-one.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5-thiadiazol-3-one
PubChem CID154437198
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name2-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5-thiadiazol-3-one
SMILESO=c1cnsn1C1C=CNCC1
InChIInChI=1S/C7H9N3OS/c11-7-5-9-12-10(7)6-1-3-8-4-2-6/h1,3,5-6,8H,2,4H2
InChIKeyLSDJKZIGRSGGQZ-UHFFFAOYSA-N
XLogP0.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5-thiadiazol-3-one?
The IUPAC name of 2-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5-thiadiazol-3-one (CID 154437198) is 2-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5-thiadiazol-3-one.
What is the SMILES notation for 2-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5-thiadiazol-3-one?
The canonical SMILES for 2-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5-thiadiazol-3-one is O=c1cnsn1C1C=CNCC1.
What is the InChIKey of 2-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5-thiadiazol-3-one?
The InChIKey is LSDJKZIGRSGGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c11-7-5-9-12-10(7)6-1-3-8-4-2-6/h1,3,5-6,8H,2,4H2.
What are the key properties of 2-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5-thiadiazol-3-one?
2-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5-thiadiazol-3-one has a molecular weight of 183.24 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5-thiadiazol-3-one is sourced from PubChem (CID 154437198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).