1-[(6-ethyl-2-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)methyl]-N-pyrazin-2-ylpiperidine-4-carboxamide

C20H27N5O2S — CID 166189068

IUPAC1-[(6-ethyl-2-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)methyl]-N-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCCC1CCc2c(sc(=O)n2CN2CCC(C(=O)Nc3cnccn3)CC2)C1
InChIInChI=1S/C20H27N5O2S/c1-2-14-3-4-16-17(11-14)28-20(27)25(16)13-24-9-5-15(6-10-24)19(26)23-18-12-21-7-8-22-18/h7-8,12,14-15H,2-6,9-11,13H2,1H3,(H,22,23,26)
InChIKeyDJELHNKZIBRYHB-UHFFFAOYSA-N
MW401.54 g/mol
LogP2.52
Rot. Bonds5

About 1-[(6-ethyl-2-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)methyl]-N-pyrazin-2-ylpiperidine-4-carboxamide

1-[(6-ethyl-2-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)methyl]-N-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 166189068) has the molecular formula C20H27N5O2S and a molecular weight of 401.54 g/mol. Its IUPAC name is 1-[(6-ethyl-2-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)methyl]-N-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(6-ethyl-2-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)methyl]-N-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID166189068
Molecular FormulaC20H27N5O2S
Molecular Weight401.54 g/mol
Exact Mass401.19
IUPAC Name1-[(6-ethyl-2-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)methyl]-N-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCCC1CCc2c(sc(=O)n2CN2CCC(C(=O)Nc3cnccn3)CC2)C1
InChIInChI=1S/C20H27N5O2S/c1-2-14-3-4-16-17(11-14)28-20(27)25(16)13-24-9-5-15(6-10-24)19(26)23-18-12-21-7-8-22-18/h7-8,12,14-15H,2-6,9-11,13H2,1H3,(H,22,23,26)
InChIKeyDJELHNKZIBRYHB-UHFFFAOYSA-N
XLogP2.52
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(6-ethyl-2-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)methyl]-N-pyrazin-2-ylpiperidine-4-carboxamide with MolForge

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Related Compounds

(2R,4R)-2-ethyl-N-pyrazin-2-yloxane-4-carboxamide
CID 97309238
ethane;N-pyrazin-2-yl-1-thiophen-2-ylpiperidine-4-carboxamide
CID 143235359
N-pyrazin-2-ylpiperidine-4-carboxamide
CID 43616167
(2S)-4-methyl-2-[[4-(pyrazin-2-ylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 126482980
2-(4-hydroxyazepan-1-yl)-N-pyrazin-2-ylacetamide
CID 131921726
N-[(6S)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrazine-2-carboxamide
CID 7027145
1-[(2-methyl-5-oxopyrrolidin-1-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 56806493
1-N-pyrazin-2-ylpiperidine-1,4-dicarboxamide
CID 110492224
N-pyrazin-2-ylpiperidine-3-carboxamide
CID 43616168
(3S,4aS,8aR)-N-pyrazin-2-yl-6-(pyridin-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
CID 124782169
N-pyrazin-2-ylpyrrolidine-1-carboxamide
CID 110492109
(4R,4aR,8aR)-N-pyrazin-2-yl-6-(1,3-thiazol-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97367075

Frequently Asked Questions

What is the IUPAC name of 1-[(6-ethyl-2-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)methyl]-N-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(6-ethyl-2-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)methyl]-N-pyrazin-2-ylpiperidine-4-carboxamide (CID 166189068) is 1-[(6-ethyl-2-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)methyl]-N-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(6-ethyl-2-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)methyl]-N-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(6-ethyl-2-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)methyl]-N-pyrazin-2-ylpiperidine-4-carboxamide is CCC1CCc2c(sc(=O)n2CN2CCC(C(=O)Nc3cnccn3)CC2)C1.
What is the InChIKey of 1-[(6-ethyl-2-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)methyl]-N-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is DJELHNKZIBRYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2S/c1-2-14-3-4-16-17(11-14)28-20(27)25(16)13-24-9-5-15(6-10-24)19(26)23-18-12-21-7-8-22-18/h7-8,12,14-15H,2-6,9-11,13H2,1H3,(H,22,23,26).
What are the key properties of 1-[(6-ethyl-2-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)methyl]-N-pyrazin-2-ylpiperidine-4-carboxamide?
1-[(6-ethyl-2-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)methyl]-N-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 401.54 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-ethyl-2-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)methyl]-N-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 166189068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).