5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-thiazol-3-one

C8H10N2OS — CID 10058166

IUPAC5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-thiazol-3-one
SMILESO=c1cc(C2=CCNCC2)s[nH]1
InChIInChI=1S/C8H10N2OS/c11-8-5-7(12-10-8)6-1-3-9-4-2-6/h1,5,9H,2-4H2,(H,10,11)
InChIKeyJBDWPOUJSQFYOM-UHFFFAOYSA-N
MW182.25 g/mol
LogP0.81
Rot. Bonds1

About 5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-thiazol-3-one

5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-thiazol-3-one (PubChem CID 10058166) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-thiazol-3-one
PubChem CID10058166
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-thiazol-3-one
SMILESO=c1cc(C2=CCNCC2)s[nH]1
InChIInChI=1S/C8H10N2OS/c11-8-5-7(12-10-8)6-1-3-9-4-2-6/h1,5,9H,2-4H2,(H,10,11)
InChIKeyJBDWPOUJSQFYOM-UHFFFAOYSA-N
XLogP0.81
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-thiazol-3-one?
The IUPAC name of 5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-thiazol-3-one (CID 10058166) is 5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-thiazol-3-one.
What is the SMILES notation for 5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-thiazol-3-one?
The canonical SMILES for 5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-thiazol-3-one is O=c1cc(C2=CCNCC2)s[nH]1.
What is the InChIKey of 5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-thiazol-3-one?
The InChIKey is JBDWPOUJSQFYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c11-8-5-7(12-10-8)6-1-3-9-4-2-6/h1,5,9H,2-4H2,(H,10,11).
What are the key properties of 5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-thiazol-3-one?
5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-thiazol-3-one has a molecular weight of 182.25 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-thiazol-3-one is sourced from PubChem (CID 10058166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).