1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-propylpiperidine-3-carboxamide

C18H25N3O2S — CID 20883813

IUPAC1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(c2nc3ccc(OCC)cc3s2)C1
InChIInChI=1S/C18H25N3O2S/c1-3-9-19-17(22)13-6-5-10-21(12-13)18-20-15-8-7-14(23-4-2)11-16(15)24-18/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,19,22)
InChIKeyKWWMQVSKNMEMEA-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.44
Rot. Bonds6

About 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-propylpiperidine-3-carboxamide

1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-propylpiperidine-3-carboxamide (PubChem CID 20883813) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-propylpiperidine-3-carboxamide
PubChem CID20883813
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(c2nc3ccc(OCC)cc3s2)C1
InChIInChI=1S/C18H25N3O2S/c1-3-9-19-17(22)13-6-5-10-21(12-13)18-20-15-8-7-14(23-4-2)11-16(15)24-18/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,19,22)
InChIKeyKWWMQVSKNMEMEA-UHFFFAOYSA-N
XLogP3.44
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-propylpiperidine-3-carboxamide (CID 20883813) is 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-propylpiperidine-3-carboxamide is CCCNC(=O)C1CCCN(c2nc3ccc(OCC)cc3s2)C1.
What is the InChIKey of 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-propylpiperidine-3-carboxamide?
The InChIKey is KWWMQVSKNMEMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-3-9-19-17(22)13-6-5-10-21(12-13)18-20-15-8-7-14(23-4-2)11-16(15)24-18/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,19,22).
What are the key properties of 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-propylpiperidine-3-carboxamide?
1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-propylpiperidine-3-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 20883813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).