3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one

C11H8N2OS — CID 1479805

IUPAC3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one
SMILESC=C1CSc2nc3ccccc3c(=O)n21
InChIInChI=1S/C11H8N2OS/c1-7-6-15-11-12-9-5-3-2-4-8(9)10(14)13(7)11/h2-5H,1,6H2
InChIKeyMUZVXQJHKZMQAI-UHFFFAOYSA-N
MW216.26 g/mol
LogP1.97
Rot. Bonds

About 3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one

3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one (PubChem CID 1479805) has the molecular formula C11H8N2OS and a molecular weight of 216.26 g/mol. Its IUPAC name is 3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one.

Molecular Properties

Compound Name3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one
PubChem CID1479805
Molecular FormulaC11H8N2OS
Molecular Weight216.26 g/mol
Exact Mass216.04
IUPAC Name3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one
SMILESC=C1CSc2nc3ccccc3c(=O)n21
InChIInChI=1S/C11H8N2OS/c1-7-6-15-11-12-9-5-3-2-4-8(9)10(14)13(7)11/h2-5H,1,6H2
InChIKeyMUZVXQJHKZMQAI-UHFFFAOYSA-N
XLogP1.97
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The IUPAC name of 3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one (CID 1479805) is 3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one.
What is the SMILES notation for 3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The canonical SMILES for 3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one is C=C1CSc2nc3ccccc3c(=O)n21.
What is the InChIKey of 3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The InChIKey is MUZVXQJHKZMQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS/c1-7-6-15-11-12-9-5-3-2-4-8(9)10(14)13(7)11/h2-5H,1,6H2.
What are the key properties of 3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one?
3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one has a molecular weight of 216.26 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one is sourced from PubChem (CID 1479805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).