N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-oxo-3-phenylphthalazine-1-carboxamide

C24H18N4O3S — CID 24525155

IUPACN-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESCc1nc(-c2ccc(CNC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)o2)cs1
InChIInChI=1S/C24H18N4O3S/c1-15-26-20(14-32-15)21-12-11-17(31-21)13-25-23(29)22-18-9-5-6-10-19(18)24(30)28(27-22)16-7-3-2-4-8-16/h2-12,14H,13H2,1H3,(H,25,29)
InChIKeyQAGCBAQMIVQLOI-UHFFFAOYSA-N
MW442.50 g/mol
LogP4.34
Rot. Bonds5

About N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-oxo-3-phenylphthalazine-1-carboxamide

N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-oxo-3-phenylphthalazine-1-carboxamide (PubChem CID 24525155) has the molecular formula C24H18N4O3S and a molecular weight of 442.50 g/mol. Its IUPAC name is N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-oxo-3-phenylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
PubChem CID24525155
Molecular FormulaC24H18N4O3S
Molecular Weight442.50 g/mol
Exact Mass442.11
IUPAC NameN-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESCc1nc(-c2ccc(CNC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)o2)cs1
InChIInChI=1S/C24H18N4O3S/c1-15-26-20(14-32-15)21-12-11-17(31-21)13-25-23(29)22-18-9-5-6-10-19(18)24(30)28(27-22)16-7-3-2-4-8-16/h2-12,14H,13H2,1H3,(H,25,29)
InChIKeyQAGCBAQMIVQLOI-UHFFFAOYSA-N
XLogP4.34
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-methyl-4-oxophthalazin-1-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide
CID 24525079
N-[(2-methylphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9104456
N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 24525066
3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide
CID 24525146
N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 24525130
4-chloro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide
CID 16571962
4-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 25400607
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 39016344
4-oxo-N-pentyl-3-phenylphthalazine-1-carboxamide
CID 7779349
2-(3-fluorophenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide
CID 17398398
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 43036583
2-butylsulfanyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide
CID 30854296

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The IUPAC name of N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-oxo-3-phenylphthalazine-1-carboxamide (CID 24525155) is N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-oxo-3-phenylphthalazine-1-carboxamide.
What is the SMILES notation for N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The canonical SMILES for N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-oxo-3-phenylphthalazine-1-carboxamide is Cc1nc(-c2ccc(CNC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)o2)cs1.
What is the InChIKey of N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The InChIKey is QAGCBAQMIVQLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3S/c1-15-26-20(14-32-15)21-12-11-17(31-21)13-25-23(29)22-18-9-5-6-10-19(18)24(30)28(27-22)16-7-3-2-4-8-16/h2-12,14H,13H2,1H3,(H,25,29).
What are the key properties of N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-oxo-3-phenylphthalazine-1-carboxamide has a molecular weight of 442.50 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-oxo-3-phenylphthalazine-1-carboxamide is sourced from PubChem (CID 24525155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).