N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C14H14N4O3S — CID 3661390

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCOc1ccc2nc(NC(=O)C3=NNC(=O)CC3)sc2c1
InChIInChI=1S/C14H14N4O3S/c1-2-21-8-3-4-9-11(7-8)22-14(15-9)16-13(20)10-5-6-12(19)18-17-10/h3-4,7H,2,5-6H2,1H3,(H,18,19)(H,15,16,20)
InChIKeyNUFXYZZCISQNKC-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.90
Rot. Bonds4

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 3661390) has the molecular formula C14H14N4O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID3661390
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCOc1ccc2nc(NC(=O)C3=NNC(=O)CC3)sc2c1
InChIInChI=1S/C14H14N4O3S/c1-2-21-8-3-4-9-11(7-8)22-14(15-9)16-13(20)10-5-6-12(19)18-17-10/h3-4,7H,2,5-6H2,1H3,(H,18,19)(H,15,16,20)
InChIKeyNUFXYZZCISQNKC-UHFFFAOYSA-N
XLogP1.90
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 3704578
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 78982440
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 4626865
N-[6-(4-methylpiperazin-1-yl)sulfonyl-1,3-benzothiazol-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 108742709
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide
CID 39951417
3-(cyclopropylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 60842453
trans-(1S,2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 8883363

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 3661390) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CCOc1ccc2nc(NC(=O)C3=NNC(=O)CC3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is NUFXYZZCISQNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S/c1-2-21-8-3-4-9-11(7-8)22-14(15-9)16-13(20)10-5-6-12(19)18-17-10/h3-4,7H,2,5-6H2,1H3,(H,18,19)(H,15,16,20).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 318.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 3661390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).