2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propanamide

C23H22N4O3S — CID 90547207

IUPAC2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propanamide
SMILESCc1ccccc1-c1nc(C)c(CNC(=O)C(C)n2nc(-c3ccco3)ccc2=O)s1
InChIInChI=1S/C23H22N4O3S/c1-14-7-4-5-8-17(14)23-25-15(2)20(31-23)13-24-22(29)16(3)27-21(28)11-10-18(26-27)19-9-6-12-30-19/h4-12,16H,13H2,1-3H3,(H,24,29)
InChIKeyDEANLVSIUFGRAA-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.12
Rot. Bonds6

About 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propanamide

2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propanamide (PubChem CID 90547207) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propanamide
PubChem CID90547207
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propanamide
SMILESCc1ccccc1-c1nc(C)c(CNC(=O)C(C)n2nc(-c3ccco3)ccc2=O)s1
InChIInChI=1S/C23H22N4O3S/c1-14-7-4-5-8-17(14)23-25-15(2)20(31-23)13-24-22(29)16(3)27-21(28)11-10-18(26-27)19-9-6-12-30-19/h4-12,16H,13H2,1-3H3,(H,24,29)
InChIKeyDEANLVSIUFGRAA-UHFFFAOYSA-N
XLogP4.12
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 56723989
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 121123709
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 121076228
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 121076062
N-(1,3-benzothiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076019
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121123713
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-phenoxypropanamide
CID 121123570
N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076031
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide
CID 90547206
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-methylbutanamide
CID 121123522
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)propanamide
CID 121076227
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
CID 90546989

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propanamide?
The IUPAC name of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propanamide (CID 90547207) is 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propanamide.
What is the SMILES notation for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propanamide?
The canonical SMILES for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propanamide is Cc1ccccc1-c1nc(C)c(CNC(=O)C(C)n2nc(-c3ccco3)ccc2=O)s1.
What is the InChIKey of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propanamide?
The InChIKey is DEANLVSIUFGRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-14-7-4-5-8-17(14)23-25-15(2)20(31-23)13-24-22(29)16(3)27-21(28)11-10-18(26-27)19-9-6-12-30-19/h4-12,16H,13H2,1-3H3,(H,24,29).
What are the key properties of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propanamide?
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propanamide has a molecular weight of 434.52 g/mol, XLogP of 4.12, 6 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-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propanamide is sourced from PubChem (CID 90547207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).