4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypentan-2-one

C15H15NO2S2 — CID 64698939

IUPAC4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypentan-2-one
SMILESCC(=O)CC(C)Oc1cc2sc(C)nc2c2sccc12
InChIInChI=1S/C15H15NO2S2/c1-8(17)6-9(2)18-12-7-13-14(16-10(3)20-13)15-11(12)4-5-19-15/h4-5,7,9H,6H2,1-3H3
InChIKeyXZMQLMBNVXTPLI-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.57
Rot. Bonds4

About 4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypentan-2-one

4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypentan-2-one (PubChem CID 64698939) has the molecular formula C15H15NO2S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypentan-2-one.

Molecular Properties

Compound Name4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypentan-2-one
PubChem CID64698939
Molecular FormulaC15H15NO2S2
Molecular Weight305.42 g/mol
Exact Mass305.05
IUPAC Name4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypentan-2-one
SMILESCC(=O)CC(C)Oc1cc2sc(C)nc2c2sccc12
InChIInChI=1S/C15H15NO2S2/c1-8(17)6-9(2)18-12-7-13-14(16-10(3)20-13)15-11(12)4-5-19-15/h4-5,7,9H,6H2,1-3H3
InChIKeyXZMQLMBNVXTPLI-UHFFFAOYSA-N
XLogP4.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypentan-2-one?
The IUPAC name of 4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypentan-2-one (CID 64698939) is 4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypentan-2-one.
What is the SMILES notation for 4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypentan-2-one?
The canonical SMILES for 4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypentan-2-one is CC(=O)CC(C)Oc1cc2sc(C)nc2c2sccc12.
What is the InChIKey of 4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypentan-2-one?
The InChIKey is XZMQLMBNVXTPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S2/c1-8(17)6-9(2)18-12-7-13-14(16-10(3)20-13)15-11(12)4-5-19-15/h4-5,7,9H,6H2,1-3H3.
What are the key properties of 4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypentan-2-one?
4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypentan-2-one has a molecular weight of 305.42 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypentan-2-one is sourced from PubChem (CID 64698939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).