3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

C12H15N5O2S — CID 43403018

IUPAC3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(C(=O)N2CCN(c3nccs3)CC2)=NN1
InChIInChI=1S/C12H15N5O2S/c18-10-2-1-9(14-15-10)11(19)16-4-6-17(7-5-16)12-13-3-8-20-12/h3,8H,1-2,4-7H2,(H,15,18)
InChIKeyIYAOIMNLJWZGGT-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.06
Rot. Bonds2

About 3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 43403018) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID43403018
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(C(=O)N2CCN(c3nccs3)CC2)=NN1
InChIInChI=1S/C12H15N5O2S/c18-10-2-1-9(14-15-10)11(19)16-4-6-17(7-5-16)12-13-3-8-20-12/h3,8H,1-2,4-7H2,(H,15,18)
InChIKeyIYAOIMNLJWZGGT-UHFFFAOYSA-N
XLogP0.06
TPSA77.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (CID 43403018) is 3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(C(=O)N2CCN(c3nccs3)CC2)=NN1.
What is the InChIKey of 3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is IYAOIMNLJWZGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c18-10-2-1-9(14-15-10)11(19)16-4-6-17(7-5-16)12-13-3-8-20-12/h3,8H,1-2,4-7H2,(H,15,18).
What are the key properties of 3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 293.35 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 43403018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).