6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

C9H10N4O2S — CID 60972025

IUPAC6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCc2nccs2)=NN1
InChIInChI=1S/C9H10N4O2S/c14-7-2-1-6(12-13-7)9(15)11-5-8-10-3-4-16-8/h3-4H,1-2,5H2,(H,11,15)(H,13,14)
InChIKeyYEBJLALFOWODHD-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.03
Rot. Bonds3

About 6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 60972025) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID60972025
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCc2nccs2)=NN1
InChIInChI=1S/C9H10N4O2S/c14-7-2-1-6(12-13-7)9(15)11-5-8-10-3-4-16-8/h3-4H,1-2,5H2,(H,11,15)(H,13,14)
InChIKeyYEBJLALFOWODHD-UHFFFAOYSA-N
XLogP0.03
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 60972025) is 6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)NCc2nccs2)=NN1.
What is the InChIKey of 6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is YEBJLALFOWODHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c14-7-2-1-6(12-13-7)9(15)11-5-8-10-3-4-16-8/h3-4H,1-2,5H2,(H,11,15)(H,13,14).
What are the key properties of 6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 238.27 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 60972025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).