6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide

C10H12N4O2S — CID 62201981

IUPAC6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCCc2nccs2)=NN1
InChIInChI=1S/C10H12N4O2S/c15-8-2-1-7(13-14-8)10(16)12-4-3-9-11-5-6-17-9/h5-6H,1-4H2,(H,12,16)(H,14,15)
InChIKeyAOTFVCLXAVBDHM-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.07
Rot. Bonds4

About 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide

6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 62201981) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID62201981
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCCc2nccs2)=NN1
InChIInChI=1S/C10H12N4O2S/c15-8-2-1-7(13-14-8)10(16)12-4-3-9-11-5-6-17-9/h5-6H,1-4H2,(H,12,16)(H,14,15)
InChIKeyAOTFVCLXAVBDHM-UHFFFAOYSA-N
XLogP0.07
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 62201981) is 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)NCCc2nccs2)=NN1.
What is the InChIKey of 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is AOTFVCLXAVBDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c15-8-2-1-7(13-14-8)10(16)12-4-3-9-11-5-6-17-9/h5-6H,1-4H2,(H,12,16)(H,14,15).
What are the key properties of 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 252.30 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 62201981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).