2-methyl-1-phenyl-[1,3]thiazolo[3,2-a]quinazolin-5-one

C17H12N2OS — CID 12072605

IUPAC2-methyl-1-phenyl-[1,3]thiazolo[3,2-a]quinazolin-5-one
SMILESCc1sc2nc(=O)c3ccccc3n2c1-c1ccccc1
InChIInChI=1S/C17H12N2OS/c1-11-15(12-7-3-2-4-8-12)19-14-10-6-5-9-13(14)16(20)18-17(19)21-11/h2-10H,1H3
InChIKeyYMIKRHZRWIYQHN-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.88
Rot. Bonds1

About 2-methyl-1-phenyl-[1,3]thiazolo[3,2-a]quinazolin-5-one

2-methyl-1-phenyl-[1,3]thiazolo[3,2-a]quinazolin-5-one (PubChem CID 12072605) has the molecular formula C17H12N2OS and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-methyl-1-phenyl-[1,3]thiazolo[3,2-a]quinazolin-5-one.

Molecular Properties

Compound Name2-methyl-1-phenyl-[1,3]thiazolo[3,2-a]quinazolin-5-one
PubChem CID12072605
Molecular FormulaC17H12N2OS
Molecular Weight292.36 g/mol
Exact Mass292.07
IUPAC Name2-methyl-1-phenyl-[1,3]thiazolo[3,2-a]quinazolin-5-one
SMILESCc1sc2nc(=O)c3ccccc3n2c1-c1ccccc1
InChIInChI=1S/C17H12N2OS/c1-11-15(12-7-3-2-4-8-12)19-14-10-6-5-9-13(14)16(20)18-17(19)21-11/h2-10H,1H3
InChIKeyYMIKRHZRWIYQHN-UHFFFAOYSA-N
XLogP3.88
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-[1,3]thiazolo[3,2-a]quinazolin-5-one?
The IUPAC name of 2-methyl-1-phenyl-[1,3]thiazolo[3,2-a]quinazolin-5-one (CID 12072605) is 2-methyl-1-phenyl-[1,3]thiazolo[3,2-a]quinazolin-5-one.
What is the SMILES notation for 2-methyl-1-phenyl-[1,3]thiazolo[3,2-a]quinazolin-5-one?
The canonical SMILES for 2-methyl-1-phenyl-[1,3]thiazolo[3,2-a]quinazolin-5-one is Cc1sc2nc(=O)c3ccccc3n2c1-c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-[1,3]thiazolo[3,2-a]quinazolin-5-one?
The InChIKey is YMIKRHZRWIYQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS/c1-11-15(12-7-3-2-4-8-12)19-14-10-6-5-9-13(14)16(20)18-17(19)21-11/h2-10H,1H3.
What are the key properties of 2-methyl-1-phenyl-[1,3]thiazolo[3,2-a]quinazolin-5-one?
2-methyl-1-phenyl-[1,3]thiazolo[3,2-a]quinazolin-5-one has a molecular weight of 292.36 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-[1,3]thiazolo[3,2-a]quinazolin-5-one is sourced from PubChem (CID 12072605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).