4-piperidin-4-yl-3H-1,3-thiazol-2-one

C8H12N2OS — CID 82655340

IUPAC4-piperidin-4-yl-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(C2CCNCC2)cs1
InChIInChI=1S/C8H12N2OS/c11-8-10-7(5-12-8)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H,10,11)
InChIKeyQKXZQBZTRWJRPZ-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.90
Rot. Bonds1

About 4-piperidin-4-yl-3H-1,3-thiazol-2-one

4-piperidin-4-yl-3H-1,3-thiazol-2-one (PubChem CID 82655340) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 4-piperidin-4-yl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-piperidin-4-yl-3H-1,3-thiazol-2-one
PubChem CID82655340
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name4-piperidin-4-yl-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(C2CCNCC2)cs1
InChIInChI=1S/C8H12N2OS/c11-8-10-7(5-12-8)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H,10,11)
InChIKeyQKXZQBZTRWJRPZ-UHFFFAOYSA-N
XLogP0.90
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-3H-1,3-thiazol-2-one?
The IUPAC name of 4-piperidin-4-yl-3H-1,3-thiazol-2-one (CID 82655340) is 4-piperidin-4-yl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-piperidin-4-yl-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-piperidin-4-yl-3H-1,3-thiazol-2-one is O=c1[nH]c(C2CCNCC2)cs1.
What is the InChIKey of 4-piperidin-4-yl-3H-1,3-thiazol-2-one?
The InChIKey is QKXZQBZTRWJRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c11-8-10-7(5-12-8)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H,10,11).
What are the key properties of 4-piperidin-4-yl-3H-1,3-thiazol-2-one?
4-piperidin-4-yl-3H-1,3-thiazol-2-one has a molecular weight of 184.26 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 82655340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).