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

C11H14N4O2S — CID 113236974

IUPAC6-oxo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(C)(NC(=O)C1=NNC(=O)CC1)c1nccs1
InChIInChI=1S/C11H14N4O2S/c1-11(2,10-12-5-6-18-10)13-9(17)7-3-4-8(16)15-14-7/h5-6H,3-4H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyXIFRQUYEPSWGDW-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.76
Rot. Bonds3

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

6-oxo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 113236974) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 6-oxo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID113236974
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name6-oxo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(C)(NC(=O)C1=NNC(=O)CC1)c1nccs1
InChIInChI=1S/C11H14N4O2S/c1-11(2,10-12-5-6-18-10)13-9(17)7-3-4-8(16)15-14-7/h5-6H,3-4H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyXIFRQUYEPSWGDW-UHFFFAOYSA-N
XLogP0.76
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.76
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)propan-2-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 113236974) is 6-oxo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide is CC(C)(NC(=O)C1=NNC(=O)CC1)c1nccs1.
What is the InChIKey of 6-oxo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is XIFRQUYEPSWGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-11(2,10-12-5-6-18-10)13-9(17)7-3-4-8(16)15-14-7/h5-6H,3-4H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 6-oxo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 266.33 g/mol, XLogP of 0.76, 3 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)propan-2-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 113236974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).