3-ethyl-2-hydroxypyrimido[2,1-b][1,3]benzothiazol-4-one

C12H10N2O2S — CID 135481902

IUPAC3-ethyl-2-hydroxypyrimido[2,1-b][1,3]benzothiazol-4-one
SMILESCCc1c(O)nc2sc3ccccc3n2c1=O
InChIInChI=1S/C12H10N2O2S/c1-2-7-10(15)13-12-14(11(7)16)8-5-3-4-6-9(8)17-12/h3-6,15H,2H2,1H3
InChIKeyMUSVQCJDRASAFK-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.18
Rot. Bonds1

About 3-ethyl-2-hydroxypyrimido[2,1-b][1,3]benzothiazol-4-one

3-ethyl-2-hydroxypyrimido[2,1-b][1,3]benzothiazol-4-one (PubChem CID 135481902) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is 3-ethyl-2-hydroxypyrimido[2,1-b][1,3]benzothiazol-4-one.

Molecular Properties

Compound Name3-ethyl-2-hydroxypyrimido[2,1-b][1,3]benzothiazol-4-one
PubChem CID135481902
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Name3-ethyl-2-hydroxypyrimido[2,1-b][1,3]benzothiazol-4-one
SMILESCCc1c(O)nc2sc3ccccc3n2c1=O
InChIInChI=1S/C12H10N2O2S/c1-2-7-10(15)13-12-14(11(7)16)8-5-3-4-6-9(8)17-12/h3-6,15H,2H2,1H3
InChIKeyMUSVQCJDRASAFK-UHFFFAOYSA-N
XLogP2.18
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-hydroxypyrimido[2,1-b][1,3]benzothiazol-4-one?
The IUPAC name of 3-ethyl-2-hydroxypyrimido[2,1-b][1,3]benzothiazol-4-one (CID 135481902) is 3-ethyl-2-hydroxypyrimido[2,1-b][1,3]benzothiazol-4-one.
What is the SMILES notation for 3-ethyl-2-hydroxypyrimido[2,1-b][1,3]benzothiazol-4-one?
The canonical SMILES for 3-ethyl-2-hydroxypyrimido[2,1-b][1,3]benzothiazol-4-one is CCc1c(O)nc2sc3ccccc3n2c1=O.
What is the InChIKey of 3-ethyl-2-hydroxypyrimido[2,1-b][1,3]benzothiazol-4-one?
The InChIKey is MUSVQCJDRASAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c1-2-7-10(15)13-12-14(11(7)16)8-5-3-4-6-9(8)17-12/h3-6,15H,2H2,1H3.
What are the key properties of 3-ethyl-2-hydroxypyrimido[2,1-b][1,3]benzothiazol-4-one?
3-ethyl-2-hydroxypyrimido[2,1-b][1,3]benzothiazol-4-one has a molecular weight of 246.29 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-hydroxypyrimido[2,1-b][1,3]benzothiazol-4-one is sourced from PubChem (CID 135481902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).