8-methoxypyrimido[2,1-b][1,3]benzothiazol-2-one

C11H8N2O2S — CID 712175

IUPAC8-methoxypyrimido[2,1-b][1,3]benzothiazol-2-one
SMILESCOc1ccc2c(c1)sc1nc(=O)ccn12
InChIInChI=1S/C11H8N2O2S/c1-15-7-2-3-8-9(6-7)16-11-12-10(14)4-5-13(8)11/h2-6H,1H3
InChIKeyHHQZVPAQTWLWON-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.92
Rot. Bonds1

About 8-methoxypyrimido[2,1-b][1,3]benzothiazol-2-one

8-methoxypyrimido[2,1-b][1,3]benzothiazol-2-one (PubChem CID 712175) has the molecular formula C11H8N2O2S and a molecular weight of 232.26 g/mol. Its IUPAC name is 8-methoxypyrimido[2,1-b][1,3]benzothiazol-2-one.

Molecular Properties

Compound Name8-methoxypyrimido[2,1-b][1,3]benzothiazol-2-one
PubChem CID712175
Molecular FormulaC11H8N2O2S
Molecular Weight232.26 g/mol
Exact Mass232.03
IUPAC Name8-methoxypyrimido[2,1-b][1,3]benzothiazol-2-one
SMILESCOc1ccc2c(c1)sc1nc(=O)ccn12
InChIInChI=1S/C11H8N2O2S/c1-15-7-2-3-8-9(6-7)16-11-12-10(14)4-5-13(8)11/h2-6H,1H3
InChIKeyHHQZVPAQTWLWON-UHFFFAOYSA-N
XLogP1.92
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methoxypyrimido[2,1-b][1,3]benzothiazol-2-one?
The IUPAC name of 8-methoxypyrimido[2,1-b][1,3]benzothiazol-2-one (CID 712175) is 8-methoxypyrimido[2,1-b][1,3]benzothiazol-2-one.
What is the SMILES notation for 8-methoxypyrimido[2,1-b][1,3]benzothiazol-2-one?
The canonical SMILES for 8-methoxypyrimido[2,1-b][1,3]benzothiazol-2-one is COc1ccc2c(c1)sc1nc(=O)ccn12.
What is the InChIKey of 8-methoxypyrimido[2,1-b][1,3]benzothiazol-2-one?
The InChIKey is HHQZVPAQTWLWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2S/c1-15-7-2-3-8-9(6-7)16-11-12-10(14)4-5-13(8)11/h2-6H,1H3.
What are the key properties of 8-methoxypyrimido[2,1-b][1,3]benzothiazol-2-one?
8-methoxypyrimido[2,1-b][1,3]benzothiazol-2-one has a molecular weight of 232.26 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxypyrimido[2,1-b][1,3]benzothiazol-2-one is sourced from PubChem (CID 712175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).