N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide

C19H21N5O2S — CID 645978

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCCOc1ccc2nc(NC(=O)C3CCN(c4cnccn4)CC3)sc2c1
InChIInChI=1S/C19H21N5O2S/c1-2-26-14-3-4-15-16(11-14)27-19(22-15)23-18(25)13-5-9-24(10-6-13)17-12-20-7-8-21-17/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H,22,23,25)
InChIKeyQQBAMJPQGAJFBJ-UHFFFAOYSA-N
MW383.48 g/mol
LogP3.34
Rot. Bonds5

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 645978) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID645978
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCCOc1ccc2nc(NC(=O)C3CCN(c4cnccn4)CC3)sc2c1
InChIInChI=1S/C19H21N5O2S/c1-2-26-14-3-4-15-16(11-14)27-19(22-15)23-18(25)13-5-9-24(10-6-13)17-12-20-7-8-21-17/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H,22,23,25)
InChIKeyQQBAMJPQGAJFBJ-UHFFFAOYSA-N
XLogP3.34
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 645978) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide is CCOc1ccc2nc(NC(=O)C3CCN(c4cnccn4)CC3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is QQBAMJPQGAJFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-2-26-14-3-4-15-16(11-14)27-19(22-15)23-18(25)13-5-9-24(10-6-13)17-12-20-7-8-21-17/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H,22,23,25).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 645978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).