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

C10H12N4O2S — CID 63613416

IUPAC6-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(NC(=O)C1=NNC(=O)CC1)c1nccs1
InChIInChI=1S/C10H12N4O2S/c1-6(10-11-4-5-17-10)12-9(16)7-2-3-8(15)14-13-7/h4-6H,2-3H2,1H3,(H,12,16)(H,14,15)
InChIKeyISVURTRTXRMKPZ-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.59
Rot. Bonds3

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

6-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 63613416) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 6-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID63613416
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name6-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(NC(=O)C1=NNC(=O)CC1)c1nccs1
InChIInChI=1S/C10H12N4O2S/c1-6(10-11-4-5-17-10)12-9(16)7-2-3-8(15)14-13-7/h4-6H,2-3H2,1H3,(H,12,16)(H,14,15)
InChIKeyISVURTRTXRMKPZ-UHFFFAOYSA-N
XLogP0.59
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.59
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-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 63613416) is 6-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide is CC(NC(=O)C1=NNC(=O)CC1)c1nccs1.
What is the InChIKey of 6-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is ISVURTRTXRMKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-6(10-11-4-5-17-10)12-9(16)7-2-3-8(15)14-13-7/h4-6H,2-3H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 6-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 252.30 g/mol, XLogP of 0.59, 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-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 63613416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).