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

C11H7N3OS — CID 10059699

IUPAC4-(1,3-thiazol-2-yl)-2H-phthalazin-1-one
SMILESO=c1[nH]nc(-c2nccs2)c2ccccc12
InChIInChI=1S/C11H7N3OS/c15-10-8-4-2-1-3-7(8)9(13-14-10)11-12-5-6-16-11/h1-6H,(H,14,15)
InChIKeySOJDMCCVJNSEJB-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.05
Rot. Bonds1

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

4-(1,3-thiazol-2-yl)-2H-phthalazin-1-one (PubChem CID 10059699) has the molecular formula C11H7N3OS and a molecular weight of 229.26 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-yl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(1,3-thiazol-2-yl)-2H-phthalazin-1-one
PubChem CID10059699
Molecular FormulaC11H7N3OS
Molecular Weight229.26 g/mol
Exact Mass229.03
IUPAC Name4-(1,3-thiazol-2-yl)-2H-phthalazin-1-one
SMILESO=c1[nH]nc(-c2nccs2)c2ccccc12
InChIInChI=1S/C11H7N3OS/c15-10-8-4-2-1-3-7(8)9(13-14-10)11-12-5-6-16-11/h1-6H,(H,14,15)
InChIKeySOJDMCCVJNSEJB-UHFFFAOYSA-N
XLogP2.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-yl)-2H-phthalazin-1-one?
The IUPAC name of 4-(1,3-thiazol-2-yl)-2H-phthalazin-1-one (CID 10059699) is 4-(1,3-thiazol-2-yl)-2H-phthalazin-1-one.
What is the SMILES notation for 4-(1,3-thiazol-2-yl)-2H-phthalazin-1-one?
The canonical SMILES for 4-(1,3-thiazol-2-yl)-2H-phthalazin-1-one is O=c1[nH]nc(-c2nccs2)c2ccccc12.
What is the InChIKey of 4-(1,3-thiazol-2-yl)-2H-phthalazin-1-one?
The InChIKey is SOJDMCCVJNSEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3OS/c15-10-8-4-2-1-3-7(8)9(13-14-10)11-12-5-6-16-11/h1-6H,(H,14,15).
What are the key properties of 4-(1,3-thiazol-2-yl)-2H-phthalazin-1-one?
4-(1,3-thiazol-2-yl)-2H-phthalazin-1-one has a molecular weight of 229.26 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-yl)-2H-phthalazin-1-one is sourced from PubChem (CID 10059699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).