7,9-dimethyl-[1,3]thiazolo[2,3-b]quinazolin-5-one

C12H10N2OS — CID 19826349

IUPAC7,9-dimethyl-[1,3]thiazolo[2,3-b]quinazolin-5-one
SMILESCc1cc(C)c2nc3sccn3c(=O)c2c1
InChIInChI=1S/C12H10N2OS/c1-7-5-8(2)10-9(6-7)11(15)14-3-4-16-12(14)13-10/h3-6H,1-2H3
InChIKeyPOVBVKZUHJRPLK-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.53
Rot. Bonds

About 7,9-dimethyl-[1,3]thiazolo[2,3-b]quinazolin-5-one

7,9-dimethyl-[1,3]thiazolo[2,3-b]quinazolin-5-one (PubChem CID 19826349) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 7,9-dimethyl-[1,3]thiazolo[2,3-b]quinazolin-5-one.

Molecular Properties

Compound Name7,9-dimethyl-[1,3]thiazolo[2,3-b]quinazolin-5-one
PubChem CID19826349
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name7,9-dimethyl-[1,3]thiazolo[2,3-b]quinazolin-5-one
SMILESCc1cc(C)c2nc3sccn3c(=O)c2c1
InChIInChI=1S/C12H10N2OS/c1-7-5-8(2)10-9(6-7)11(15)14-3-4-16-12(14)13-10/h3-6H,1-2H3
InChIKeyPOVBVKZUHJRPLK-UHFFFAOYSA-N
XLogP2.53
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The IUPAC name of 7,9-dimethyl-[1,3]thiazolo[2,3-b]quinazolin-5-one (CID 19826349) is 7,9-dimethyl-[1,3]thiazolo[2,3-b]quinazolin-5-one.
What is the SMILES notation for 7,9-dimethyl-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The canonical SMILES for 7,9-dimethyl-[1,3]thiazolo[2,3-b]quinazolin-5-one is Cc1cc(C)c2nc3sccn3c(=O)c2c1.
What is the InChIKey of 7,9-dimethyl-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The InChIKey is POVBVKZUHJRPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-7-5-8(2)10-9(6-7)11(15)14-3-4-16-12(14)13-10/h3-6H,1-2H3.
What are the key properties of 7,9-dimethyl-[1,3]thiazolo[2,3-b]quinazolin-5-one?
7,9-dimethyl-[1,3]thiazolo[2,3-b]quinazolin-5-one has a molecular weight of 230.29 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-[1,3]thiazolo[2,3-b]quinazolin-5-one is sourced from PubChem (CID 19826349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).