2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)propanamide

C19H16N4O3S — CID 121076227

IUPAC2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)propanamide
SMILESCc1nc2cc(NC(=O)C(C)n3nc(-c4ccco4)ccc3=O)ccc2s1
InChIInChI=1S/C19H16N4O3S/c1-11(23-18(24)8-6-14(22-23)16-4-3-9-26-16)19(25)21-13-5-7-17-15(10-13)20-12(2)27-17/h3-11H,1-2H3,(H,21,25)
InChIKeyJFHKRXDEQOREGG-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.62
Rot. Bonds4

About 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)propanamide

2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)propanamide (PubChem CID 121076227) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)propanamide.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)propanamide
PubChem CID121076227
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)propanamide
SMILESCc1nc2cc(NC(=O)C(C)n3nc(-c4ccco4)ccc3=O)ccc2s1
InChIInChI=1S/C19H16N4O3S/c1-11(23-18(24)8-6-14(22-23)16-4-3-9-26-16)19(25)21-13-5-7-17-15(10-13)20-12(2)27-17/h3-11H,1-2H3,(H,21,25)
InChIKeyJFHKRXDEQOREGG-UHFFFAOYSA-N
XLogP3.62
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076031
N-(1,3-benzothiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076019
N-(3-chlorophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076032
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 121075999
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,2-oxazol-3-yl)propanamide
CID 121076102
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076138
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 121076228
(2S)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 52906560
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)propanamide
CID 90545020
2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
CID 121076220
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 56723989
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propanamide
CID 90547207

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)propanamide?
The IUPAC name of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)propanamide (CID 121076227) is 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)propanamide.
What is the SMILES notation for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)propanamide?
The canonical SMILES for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)propanamide is Cc1nc2cc(NC(=O)C(C)n3nc(-c4ccco4)ccc3=O)ccc2s1.
What is the InChIKey of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)propanamide?
The InChIKey is JFHKRXDEQOREGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-11(23-18(24)8-6-14(22-23)16-4-3-9-26-16)19(25)21-13-5-7-17-15(10-13)20-12(2)27-17/h3-11H,1-2H3,(H,21,25).
What are the key properties of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)propanamide?
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)propanamide has a molecular weight of 380.43 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)propanamide is sourced from PubChem (CID 121076227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).