4-(5-methyl-1,3-thiazol-2-yl)-2H-phthalazin-1-one

C12H9N3OS — CID 121012576

IUPAC4-(5-methyl-1,3-thiazol-2-yl)-2H-phthalazin-1-one
SMILESCc1cnc(-c2n[nH]c(=O)c3ccccc23)s1
InChIInChI=1S/C12H9N3OS/c1-7-6-13-12(17-7)10-8-4-2-3-5-9(8)11(16)15-14-10/h2-6H,1H3,(H,15,16)
InChIKeyPWLXSEUHVIBHRB-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.36
Rot. Bonds1

About 4-(5-methyl-1,3-thiazol-2-yl)-2H-phthalazin-1-one

4-(5-methyl-1,3-thiazol-2-yl)-2H-phthalazin-1-one (PubChem CID 121012576) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 4-(5-methyl-1,3-thiazol-2-yl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(5-methyl-1,3-thiazol-2-yl)-2H-phthalazin-1-one
PubChem CID121012576
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name4-(5-methyl-1,3-thiazol-2-yl)-2H-phthalazin-1-one
SMILESCc1cnc(-c2n[nH]c(=O)c3ccccc23)s1
InChIInChI=1S/C12H9N3OS/c1-7-6-13-12(17-7)10-8-4-2-3-5-9(8)11(16)15-14-10/h2-6H,1H3,(H,15,16)
InChIKeyPWLXSEUHVIBHRB-UHFFFAOYSA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-methyl-1,3-thiazol-2-yl)-2H-phthalazin-1-one 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

4-(4,5-dimethyl-1,3-thiazol-2-yl)-2H-phthalazin-1-one
CID 57409199
4-(5-methoxythiophen-2-yl)-2H-phthalazin-1-one
CID 11777276
4-phenyl-2H-phthalazin-1-one;hydrate
CID 51057017
silver 4-oxo-3H-phthalazin-1-olate
CID 90482828
4-(4-pyridin-4-ylphenyl)-2H-phthalazin-1-one
CID 110187221
4-[5-(1-aminoethyl)thiophen-2-yl]-2H-phthalazin-1-one
CID 82036637
5-(4-oxo-3H-phthalazin-1-yl)thiophene-2-carboxylic acid
CID 10333419
4-(4-methoxy-3,5-dimethylphenyl)-2H-phthalazin-1-one
CID 83046007
4-(3-chloro-4-methylphenyl)-2H-phthalazin-1-one
CID 106520396
4-(3,5-dichlorophenyl)-2H-phthalazin-1-one
CID 2824608
4-isoquinolin-4-yl-2H-phthalazin-1-one
CID 106518041
4-(5-bromo-4-chlorothiophen-2-yl)-2H-phthalazin-1-one
CID 80531959

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,3-thiazol-2-yl)-2H-phthalazin-1-one?
The IUPAC name of 4-(5-methyl-1,3-thiazol-2-yl)-2H-phthalazin-1-one (CID 121012576) is 4-(5-methyl-1,3-thiazol-2-yl)-2H-phthalazin-1-one.
What is the SMILES notation for 4-(5-methyl-1,3-thiazol-2-yl)-2H-phthalazin-1-one?
The canonical SMILES for 4-(5-methyl-1,3-thiazol-2-yl)-2H-phthalazin-1-one is Cc1cnc(-c2n[nH]c(=O)c3ccccc23)s1.
What is the InChIKey of 4-(5-methyl-1,3-thiazol-2-yl)-2H-phthalazin-1-one?
The InChIKey is PWLXSEUHVIBHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c1-7-6-13-12(17-7)10-8-4-2-3-5-9(8)11(16)15-14-10/h2-6H,1H3,(H,15,16).
What are the key properties of 4-(5-methyl-1,3-thiazol-2-yl)-2H-phthalazin-1-one?
4-(5-methyl-1,3-thiazol-2-yl)-2H-phthalazin-1-one has a molecular weight of 243.29 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,3-thiazol-2-yl)-2H-phthalazin-1-one is sourced from PubChem (CID 121012576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).