2-(3-methyl-4-oxophthalazin-1-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide

C20H18N4O3S — CID 24525079

IUPAC2-(3-methyl-4-oxophthalazin-1-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide
SMILESCc1nc(-c2ccc(CNC(=O)Cc3nn(C)c(=O)c4ccccc34)o2)cs1
InChIInChI=1S/C20H18N4O3S/c1-12-22-17(11-28-12)18-8-7-13(27-18)10-21-19(25)9-16-14-5-3-4-6-15(14)20(26)24(2)23-16/h3-8,11H,9-10H2,1-2H3,(H,21,25)
InChIKeyKJDROROISGCYND-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.82
Rot. Bonds5

About 2-(3-methyl-4-oxophthalazin-1-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide

2-(3-methyl-4-oxophthalazin-1-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide (PubChem CID 24525079) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is 2-(3-methyl-4-oxophthalazin-1-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-oxophthalazin-1-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide
PubChem CID24525079
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Name2-(3-methyl-4-oxophthalazin-1-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide
SMILESCc1nc(-c2ccc(CNC(=O)Cc3nn(C)c(=O)c4ccccc34)o2)cs1
InChIInChI=1S/C20H18N4O3S/c1-12-22-17(11-28-12)18-8-7-13(27-18)10-21-19(25)9-16-14-5-3-4-6-15(14)20(26)24(2)23-16/h3-8,11H,9-10H2,1-2H3,(H,21,25)
InChIKeyKJDROROISGCYND-UHFFFAOYSA-N
XLogP2.82
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 24525155
3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide
CID 24525146
2-(3-fluorophenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide
CID 17398398
N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 24525129
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
2-butylsulfanyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide
CID 30854296
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
2-(3-methyl-4-oxophthalazin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 9301808
4-(difluoromethoxy)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide
CID 18205530
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55975870
7-methyl-2-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 51112543

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-oxophthalazin-1-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide?
The IUPAC name of 2-(3-methyl-4-oxophthalazin-1-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide (CID 24525079) is 2-(3-methyl-4-oxophthalazin-1-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-methyl-4-oxophthalazin-1-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(3-methyl-4-oxophthalazin-1-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide is Cc1nc(-c2ccc(CNC(=O)Cc3nn(C)c(=O)c4ccccc34)o2)cs1.
What is the InChIKey of 2-(3-methyl-4-oxophthalazin-1-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide?
The InChIKey is KJDROROISGCYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-12-22-17(11-28-12)18-8-7-13(27-18)10-21-19(25)9-16-14-5-3-4-6-15(14)20(26)24(2)23-16/h3-8,11H,9-10H2,1-2H3,(H,21,25).
What are the key properties of 2-(3-methyl-4-oxophthalazin-1-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide?
2-(3-methyl-4-oxophthalazin-1-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide has a molecular weight of 394.46 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-oxophthalazin-1-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide is sourced from PubChem (CID 24525079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).