2-ethyl-4-(1,3-thiazol-2-yl)phthalazin-1-one

C13H11N3OS — CID 10038094

IUPAC2-ethyl-4-(1,3-thiazol-2-yl)phthalazin-1-one
SMILESCCn1nc(-c2nccs2)c2ccccc2c1=O
InChIInChI=1S/C13H11N3OS/c1-2-16-13(17)10-6-4-3-5-9(10)11(15-16)12-14-7-8-18-12/h3-8H,2H2,1H3
InChIKeyQYVWQRYQUPGYPH-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.54
Rot. Bonds2

About 2-ethyl-4-(1,3-thiazol-2-yl)phthalazin-1-one

2-ethyl-4-(1,3-thiazol-2-yl)phthalazin-1-one (PubChem CID 10038094) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-ethyl-4-(1,3-thiazol-2-yl)phthalazin-1-one.

Molecular Properties

Compound Name2-ethyl-4-(1,3-thiazol-2-yl)phthalazin-1-one
PubChem CID10038094
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name2-ethyl-4-(1,3-thiazol-2-yl)phthalazin-1-one
SMILESCCn1nc(-c2nccs2)c2ccccc2c1=O
InChIInChI=1S/C13H11N3OS/c1-2-16-13(17)10-6-4-3-5-9(10)11(15-16)12-14-7-8-18-12/h3-8H,2H2,1H3
InChIKeyQYVWQRYQUPGYPH-UHFFFAOYSA-N
XLogP2.54
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-4-(1,3-thiazol-2-yl)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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(1,3-thiazol-2-yl)phthalazin-1-one?
The IUPAC name of 2-ethyl-4-(1,3-thiazol-2-yl)phthalazin-1-one (CID 10038094) is 2-ethyl-4-(1,3-thiazol-2-yl)phthalazin-1-one.
What is the SMILES notation for 2-ethyl-4-(1,3-thiazol-2-yl)phthalazin-1-one?
The canonical SMILES for 2-ethyl-4-(1,3-thiazol-2-yl)phthalazin-1-one is CCn1nc(-c2nccs2)c2ccccc2c1=O.
What is the InChIKey of 2-ethyl-4-(1,3-thiazol-2-yl)phthalazin-1-one?
The InChIKey is QYVWQRYQUPGYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-2-16-13(17)10-6-4-3-5-9(10)11(15-16)12-14-7-8-18-12/h3-8H,2H2,1H3.
What are the key properties of 2-ethyl-4-(1,3-thiazol-2-yl)phthalazin-1-one?
2-ethyl-4-(1,3-thiazol-2-yl)phthalazin-1-one has a molecular weight of 257.32 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(1,3-thiazol-2-yl)phthalazin-1-one is sourced from PubChem (CID 10038094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).