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

C11H8N2OS — CID 852246

IUPAC1-methyl-[1,3]thiazolo[3,2-a]quinazolin-5-one
SMILESCc1csc2nc(=O)c3ccccc3n12
InChIInChI=1S/C11H8N2OS/c1-7-6-15-11-12-10(14)8-4-2-3-5-9(8)13(7)11/h2-6H,1H3
InChIKeyJSINNVANMOSFMN-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.22
Rot. Bonds

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

1-methyl-[1,3]thiazolo[3,2-a]quinazolin-5-one (PubChem CID 852246) has the molecular formula C11H8N2OS and a molecular weight of 216.27 g/mol. Its IUPAC name is 1-methyl-[1,3]thiazolo[3,2-a]quinazolin-5-one.

Molecular Properties

Compound Name1-methyl-[1,3]thiazolo[3,2-a]quinazolin-5-one
PubChem CID852246
Molecular FormulaC11H8N2OS
Molecular Weight216.27 g/mol
Exact Mass216.04
IUPAC Name1-methyl-[1,3]thiazolo[3,2-a]quinazolin-5-one
SMILESCc1csc2nc(=O)c3ccccc3n12
InChIInChI=1S/C11H8N2OS/c1-7-6-15-11-12-10(14)8-4-2-3-5-9(8)13(7)11/h2-6H,1H3
InChIKeyJSINNVANMOSFMN-UHFFFAOYSA-N
XLogP2.22
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methaqualone
CID 6292
4(3H)-Quinazolinone, 2-methyl-3-(2-methylphenyl)-, hydrochloride (1:1)
CID 63196
3-(2-Ethylphenyl)-2-methyl-4(3H)-quinazolinone
CID 23914
3-Methyl-4(3H)-quinazolinone
CID 17088
Glycorine
CID 18992
3-phenyl-3H-quinazolin-4-one
CID 785275
3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one
CID 25229546
2-((2-piperidin-1-ylethyl)thio)quinazolin-4(3H)-one
CID 135520446
3-Phenyl-2-methylquinazolin-4-one
CID 63378
3-Ethyl-4-quinazolinone
CID 63385
2-Benzylsulfanyl-3-phenylquinazolin-4-one
CID 806148
(4-Hydroxy-quinazolin-2-ylsulfanyl)-acetic acid
CID 135409719

Frequently Asked Questions

What is the IUPAC name of 1-methyl-[1,3]thiazolo[3,2-a]quinazolin-5-one?
The IUPAC name of 1-methyl-[1,3]thiazolo[3,2-a]quinazolin-5-one (CID 852246) is 1-methyl-[1,3]thiazolo[3,2-a]quinazolin-5-one.
What is the SMILES notation for 1-methyl-[1,3]thiazolo[3,2-a]quinazolin-5-one?
The canonical SMILES for 1-methyl-[1,3]thiazolo[3,2-a]quinazolin-5-one is Cc1csc2nc(=O)c3ccccc3n12.
What is the InChIKey of 1-methyl-[1,3]thiazolo[3,2-a]quinazolin-5-one?
The InChIKey is JSINNVANMOSFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS/c1-7-6-15-11-12-10(14)8-4-2-3-5-9(8)13(7)11/h2-6H,1H3.
What are the key properties of 1-methyl-[1,3]thiazolo[3,2-a]quinazolin-5-one?
1-methyl-[1,3]thiazolo[3,2-a]quinazolin-5-one has a molecular weight of 216.27 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-[1,3]thiazolo[3,2-a]quinazolin-5-one is sourced from PubChem (CID 852246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).