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

C18H13N3OS — CID 19586113

IUPAC2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phthalazin-1-one
SMILESCc1sc(-n2ncc3ccccc3c2=O)nc1-c1ccccc1
InChIInChI=1S/C18H13N3OS/c1-12-16(13-7-3-2-4-8-13)20-18(23-12)21-17(22)15-10-6-5-9-14(15)11-19-21/h2-11H,1H3
InChIKeyQPOUIGYITKHNFF-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.82
Rot. Bonds2

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

2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phthalazin-1-one (PubChem CID 19586113) has the molecular formula C18H13N3OS and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phthalazin-1-one.

Molecular Properties

Compound Name2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phthalazin-1-one
PubChem CID19586113
Molecular FormulaC18H13N3OS
Molecular Weight319.39 g/mol
Exact Mass319.08
IUPAC Name2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phthalazin-1-one
SMILESCc1sc(-n2ncc3ccccc3c2=O)nc1-c1ccccc1
InChIInChI=1S/C18H13N3OS/c1-12-16(13-7-3-2-4-8-13)20-18(23-12)21-17(22)15-10-6-5-9-14(15)11-19-21/h2-11H,1H3
InChIKeyQPOUIGYITKHNFF-UHFFFAOYSA-N
XLogP3.82
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phthalazin-1-one?
The IUPAC name of 2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phthalazin-1-one (CID 19586113) is 2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phthalazin-1-one.
What is the SMILES notation for 2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phthalazin-1-one?
The canonical SMILES for 2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phthalazin-1-one is Cc1sc(-n2ncc3ccccc3c2=O)nc1-c1ccccc1.
What is the InChIKey of 2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phthalazin-1-one?
The InChIKey is QPOUIGYITKHNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS/c1-12-16(13-7-3-2-4-8-13)20-18(23-12)21-17(22)15-10-6-5-9-14(15)11-19-21/h2-11H,1H3.
What are the key properties of 2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phthalazin-1-one?
2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phthalazin-1-one has a molecular weight of 319.39 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phthalazin-1-one is sourced from PubChem (CID 19586113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).