8-benzyl-[1,3]thiazolo[5,4-f]quinazolin-9-one

C16H11N3OS — CID 11522160

IUPAC8-benzyl-[1,3]thiazolo[5,4-f]quinazolin-9-one
SMILESO=c1c2c(ccc3ncsc32)ncn1Cc1ccccc1
InChIInChI=1S/C16H11N3OS/c20-16-14-12(6-7-13-15(14)21-10-18-13)17-9-19(16)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2
InChIKeyWPRRMGLFWDNFGF-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.05
Rot. Bonds2

About 8-benzyl-[1,3]thiazolo[5,4-f]quinazolin-9-one

8-benzyl-[1,3]thiazolo[5,4-f]quinazolin-9-one (PubChem CID 11522160) has the molecular formula C16H11N3OS and a molecular weight of 293.35 g/mol. Its IUPAC name is 8-benzyl-[1,3]thiazolo[5,4-f]quinazolin-9-one.

Molecular Properties

Compound Name8-benzyl-[1,3]thiazolo[5,4-f]quinazolin-9-one
PubChem CID11522160
Molecular FormulaC16H11N3OS
Molecular Weight293.35 g/mol
Exact Mass293.06
IUPAC Name8-benzyl-[1,3]thiazolo[5,4-f]quinazolin-9-one
SMILESO=c1c2c(ccc3ncsc32)ncn1Cc1ccccc1
InChIInChI=1S/C16H11N3OS/c20-16-14-12(6-7-13-15(14)21-10-18-13)17-9-19(16)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2
InChIKeyWPRRMGLFWDNFGF-UHFFFAOYSA-N
XLogP3.05
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-[1,3]thiazolo[5,4-f]quinazolin-9-one?
The IUPAC name of 8-benzyl-[1,3]thiazolo[5,4-f]quinazolin-9-one (CID 11522160) is 8-benzyl-[1,3]thiazolo[5,4-f]quinazolin-9-one.
What is the SMILES notation for 8-benzyl-[1,3]thiazolo[5,4-f]quinazolin-9-one?
The canonical SMILES for 8-benzyl-[1,3]thiazolo[5,4-f]quinazolin-9-one is O=c1c2c(ccc3ncsc32)ncn1Cc1ccccc1.
What is the InChIKey of 8-benzyl-[1,3]thiazolo[5,4-f]quinazolin-9-one?
The InChIKey is WPRRMGLFWDNFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS/c20-16-14-12(6-7-13-15(14)21-10-18-13)17-9-19(16)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2.
What are the key properties of 8-benzyl-[1,3]thiazolo[5,4-f]quinazolin-9-one?
8-benzyl-[1,3]thiazolo[5,4-f]quinazolin-9-one has a molecular weight of 293.35 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-[1,3]thiazolo[5,4-f]quinazolin-9-one is sourced from PubChem (CID 11522160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).