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

C25H18N4O2S — CID 39016344

IUPACN-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESCc1ccccc1-c1csc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)n1
InChIInChI=1S/C25H18N4O2S/c1-16-9-5-6-12-18(16)21-15-32-25(26-21)27-23(30)22-19-13-7-8-14-20(19)24(31)29(28-22)17-10-3-2-4-11-17/h2-15H,1H3,(H,26,27,30)
InChIKeyQIVRSDCLOXGMGZ-UHFFFAOYSA-N
MW438.51 g/mol
LogP5.07
Rot. Bonds4

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

N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-3-phenylphthalazine-1-carboxamide (PubChem CID 39016344) has the molecular formula C25H18N4O2S and a molecular weight of 438.51 g/mol. Its IUPAC name is N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-3-phenylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-3-phenylphthalazine-1-carboxamide
PubChem CID39016344
Molecular FormulaC25H18N4O2S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC NameN-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESCc1ccccc1-c1csc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)n1
InChIInChI=1S/C25H18N4O2S/c1-16-9-5-6-12-18(16)21-15-32-25(26-21)27-23(30)22-19-13-7-8-14-20(19)24(31)29(28-22)17-10-3-2-4-11-17/h2-15H,1H3,(H,26,27,30)
InChIKeyQIVRSDCLOXGMGZ-UHFFFAOYSA-N
XLogP5.07
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.51
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-3-phenylphthalazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 16562200
3-benzyl-4-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]phthalazine-1-carboxamide
CID 3917433
N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 8760225
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 39016403
N-[(2-methylphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9104456
N-(2-hydroxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 39949913
N-(5-fluoro-2-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 4810818
N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 24525155
N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 4784781
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 52893560
N-(4-tert-butylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 7914088
2,6-dichloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 78868970

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The IUPAC name of N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-3-phenylphthalazine-1-carboxamide (CID 39016344) is N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-3-phenylphthalazine-1-carboxamide.
What is the SMILES notation for N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The canonical SMILES for N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-3-phenylphthalazine-1-carboxamide is Cc1ccccc1-c1csc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)n1.
What is the InChIKey of N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The InChIKey is QIVRSDCLOXGMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O2S/c1-16-9-5-6-12-18(16)21-15-32-25(26-21)27-23(30)22-19-13-7-8-14-20(19)24(31)29(28-22)17-10-3-2-4-11-17/h2-15H,1H3,(H,26,27,30).
What are the key properties of N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-3-phenylphthalazine-1-carboxamide?
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-3-phenylphthalazine-1-carboxamide has a molecular weight of 438.51 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-3-phenylphthalazine-1-carboxamide is sourced from PubChem (CID 39016344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).