(6-ethoxy-1,3-benzothiazol-2-yl)-(3-methylpiperidin-1-yl)methanone

C16H20N2O2S — CID 4558532

IUPAC(6-ethoxy-1,3-benzothiazol-2-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCCOc1ccc2nc(C(=O)N3CCCC(C)C3)sc2c1
InChIInChI=1S/C16H20N2O2S/c1-3-20-12-6-7-13-14(9-12)21-15(17-13)16(19)18-8-4-5-11(2)10-18/h6-7,9,11H,3-5,8,10H2,1-2H3
InChIKeyNNUSATDXOPZUOY-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.57
Rot. Bonds3

About (6-ethoxy-1,3-benzothiazol-2-yl)-(3-methylpiperidin-1-yl)methanone

(6-ethoxy-1,3-benzothiazol-2-yl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 4558532) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is (6-ethoxy-1,3-benzothiazol-2-yl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-ethoxy-1,3-benzothiazol-2-yl)-(3-methylpiperidin-1-yl)methanone
PubChem CID4558532
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name(6-ethoxy-1,3-benzothiazol-2-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCCOc1ccc2nc(C(=O)N3CCCC(C)C3)sc2c1
InChIInChI=1S/C16H20N2O2S/c1-3-20-12-6-7-13-14(9-12)21-15(17-13)16(19)18-8-4-5-11(2)10-18/h6-7,9,11H,3-5,8,10H2,1-2H3
InChIKeyNNUSATDXOPZUOY-UHFFFAOYSA-N
XLogP3.57
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-ethoxy-1,3-benzothiazol-2-yl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (6-ethoxy-1,3-benzothiazol-2-yl)-(3-methylpiperidin-1-yl)methanone (CID 4558532) is (6-ethoxy-1,3-benzothiazol-2-yl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-ethoxy-1,3-benzothiazol-2-yl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (6-ethoxy-1,3-benzothiazol-2-yl)-(3-methylpiperidin-1-yl)methanone is CCOc1ccc2nc(C(=O)N3CCCC(C)C3)sc2c1.
What is the InChIKey of (6-ethoxy-1,3-benzothiazol-2-yl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is NNUSATDXOPZUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-20-12-6-7-13-14(9-12)21-15(17-13)16(19)18-8-4-5-11(2)10-18/h6-7,9,11H,3-5,8,10H2,1-2H3.
What are the key properties of (6-ethoxy-1,3-benzothiazol-2-yl)-(3-methylpiperidin-1-yl)methanone?
(6-ethoxy-1,3-benzothiazol-2-yl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 304.42 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxy-1,3-benzothiazol-2-yl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 4558532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).