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

C11H8N2OS — CID 714693

IUPAC8-methylpyrimido[2,1-b][1,3]benzothiazol-2-one
SMILESCc1ccc2c(c1)sc1nc(=O)ccn12
InChIInChI=1S/C11H8N2OS/c1-7-2-3-8-9(6-7)15-11-12-10(14)4-5-13(8)11/h2-6H,1H3
InChIKeyZCEAPVBNMIHFOX-UHFFFAOYSA-N
MW216.26 g/mol
LogP2.22
Rot. Bonds

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

8-methylpyrimido[2,1-b][1,3]benzothiazol-2-one (PubChem CID 714693) has the molecular formula C11H8N2OS and a molecular weight of 216.26 g/mol. Its IUPAC name is 8-methylpyrimido[2,1-b][1,3]benzothiazol-2-one.

Molecular Properties

Compound Name8-methylpyrimido[2,1-b][1,3]benzothiazol-2-one
PubChem CID714693
Molecular FormulaC11H8N2OS
Molecular Weight216.26 g/mol
Exact Mass216.04
IUPAC Name8-methylpyrimido[2,1-b][1,3]benzothiazol-2-one
SMILESCc1ccc2c(c1)sc1nc(=O)ccn12
InChIInChI=1S/C11H8N2OS/c1-7-2-3-8-9(6-7)15-11-12-10(14)4-5-13(8)11/h2-6H,1H3
InChIKeyZCEAPVBNMIHFOX-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 ≤ 500216.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methylpyrimido[2,1-b][1,3]benzothiazol-2-one?
The IUPAC name of 8-methylpyrimido[2,1-b][1,3]benzothiazol-2-one (CID 714693) is 8-methylpyrimido[2,1-b][1,3]benzothiazol-2-one.
What is the SMILES notation for 8-methylpyrimido[2,1-b][1,3]benzothiazol-2-one?
The canonical SMILES for 8-methylpyrimido[2,1-b][1,3]benzothiazol-2-one is Cc1ccc2c(c1)sc1nc(=O)ccn12.
What is the InChIKey of 8-methylpyrimido[2,1-b][1,3]benzothiazol-2-one?
The InChIKey is ZCEAPVBNMIHFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS/c1-7-2-3-8-9(6-7)15-11-12-10(14)4-5-13(8)11/h2-6H,1H3.
What are the key properties of 8-methylpyrimido[2,1-b][1,3]benzothiazol-2-one?
8-methylpyrimido[2,1-b][1,3]benzothiazol-2-one has a molecular weight of 216.26 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 8-methylpyrimido[2,1-b][1,3]benzothiazol-2-one is sourced from PubChem (CID 714693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).