N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyridine-3-carboxamide

C20H22N4O2S — CID 175651185

IUPACN-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyridine-3-carboxamide
SMILESCCOc1ccc2nc(N3CCCC(NC(=O)c4cccnc4)C3)sc2c1
InChIInChI=1S/C20H22N4O2S/c1-2-26-16-7-8-17-18(11-16)27-20(23-17)24-10-4-6-15(13-24)22-19(25)14-5-3-9-21-12-14/h3,5,7-9,11-12,15H,2,4,6,10,13H2,1H3,(H,22,25)
InChIKeyWBGIAXGFSZQUNP-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.49
Rot. Bonds5

About N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyridine-3-carboxamide

N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyridine-3-carboxamide (PubChem CID 175651185) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyridine-3-carboxamide
PubChem CID175651185
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyridine-3-carboxamide
SMILESCCOc1ccc2nc(N3CCCC(NC(=O)c4cccnc4)C3)sc2c1
InChIInChI=1S/C20H22N4O2S/c1-2-26-16-7-8-17-18(11-16)27-20(23-17)24-10-4-6-15(13-24)22-19(25)14-5-3-9-21-12-14/h3,5,7-9,11-12,15H,2,4,6,10,13H2,1H3,(H,22,25)
InChIKeyWBGIAXGFSZQUNP-UHFFFAOYSA-N
XLogP3.49
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 175651152
1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-propylpiperidine-3-carboxamide
CID 20883813
N-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171997524
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175651033
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(3S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 124772392
(3,5-dimethylpiperidin-1-yl)-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 20883866
N-(1-benzylpiperidin-4-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 20883827
(3S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]piperidine-3-carboxamide
CID 124771992
N-(2-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 20883798
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611795
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171997837
(4-benzylpiperazin-1-yl)-[(3R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 92667756

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyridine-3-carboxamide (CID 175651185) is N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyridine-3-carboxamide is CCOc1ccc2nc(N3CCCC(NC(=O)c4cccnc4)C3)sc2c1.
What is the InChIKey of N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyridine-3-carboxamide?
The InChIKey is WBGIAXGFSZQUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-2-26-16-7-8-17-18(11-16)27-20(23-17)24-10-4-6-15(13-24)22-19(25)14-5-3-9-21-12-14/h3,5,7-9,11-12,15H,2,4,6,10,13H2,1H3,(H,22,25).
What are the key properties of N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyridine-3-carboxamide?
N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyridine-3-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 175651185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).