3-[4-(1,3-thiazol-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one

C14H16N4O2S — CID 118142555

IUPAC3-[4-(1,3-thiazol-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCN(Cc2nccs2)CC1
InChIInChI=1S/C14H16N4O2S/c19-13-11(2-1-3-16-13)14(20)18-7-5-17(6-8-18)10-12-15-4-9-21-12/h1-4,9H,5-8,10H2,(H,16,19)
InChIKeyJFJVIXQBATZZBU-UHFFFAOYSA-N
MW304.37 g/mol
LogP0.79
Rot. Bonds3

About 3-[4-(1,3-thiazol-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one

3-[4-(1,3-thiazol-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 118142555) has the molecular formula C14H16N4O2S and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-[4-(1,3-thiazol-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(1,3-thiazol-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID118142555
Molecular FormulaC14H16N4O2S
Molecular Weight304.37 g/mol
Exact Mass304.10
IUPAC Name3-[4-(1,3-thiazol-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCN(Cc2nccs2)CC1
InChIInChI=1S/C14H16N4O2S/c19-13-11(2-1-3-16-13)14(20)18-7-5-17(6-8-18)10-12-15-4-9-21-12/h1-4,9H,5-8,10H2,(H,16,19)
InChIKeyJFJVIXQBATZZBU-UHFFFAOYSA-N
XLogP0.79
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,3-thiazol-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[4-(1,3-thiazol-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one (CID 118142555) is 3-[4-(1,3-thiazol-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(1,3-thiazol-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(1,3-thiazol-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc[nH]c1=O)N1CCN(Cc2nccs2)CC1.
What is the InChIKey of 3-[4-(1,3-thiazol-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is JFJVIXQBATZZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c19-13-11(2-1-3-16-13)14(20)18-7-5-17(6-8-18)10-12-15-4-9-21-12/h1-4,9H,5-8,10H2,(H,16,19).
What are the key properties of 3-[4-(1,3-thiazol-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
3-[4-(1,3-thiazol-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 304.37 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,3-thiazol-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 118142555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).