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

C17H16ClN5OS — CID 166239062

IUPACN-(2-chloro-1,3-benzothiazol-6-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc2nc(Cl)sc2c1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H16ClN5OS/c18-17-22-13-2-1-12(9-14(13)25-17)21-16(24)11-3-7-23(8-4-11)15-10-19-5-6-20-15/h1-2,5-6,9-11H,3-4,7-8H2,(H,21,24)
InChIKeyRECIAWWNKBGUKU-UHFFFAOYSA-N
MW373.87 g/mol
LogP3.59
Rot. Bonds3

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

N-(2-chloro-1,3-benzothiazol-6-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 166239062) has the molecular formula C17H16ClN5OS and a molecular weight of 373.87 g/mol. Its IUPAC name is N-(2-chloro-1,3-benzothiazol-6-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-1,3-benzothiazol-6-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID166239062
Molecular FormulaC17H16ClN5OS
Molecular Weight373.87 g/mol
Exact Mass373.08
IUPAC NameN-(2-chloro-1,3-benzothiazol-6-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc2nc(Cl)sc2c1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H16ClN5OS/c18-17-22-13-2-1-12(9-14(13)25-17)21-16(24)11-3-7-23(8-4-11)15-10-19-5-6-20-15/h1-2,5-6,9-11H,3-4,7-8H2,(H,21,24)
InChIKeyRECIAWWNKBGUKU-UHFFFAOYSA-N
XLogP3.59
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(methylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797507
3-chloro-5-[(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]benzoic acid
CID 126794812
N-(5-chloro-2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222631
N-[1-(difluoromethyl)indol-6-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 166244884
N-(2-chloro-1,3-benzothiazol-6-yl)-1,1-dioxothiolane-3-carboxamide
CID 126816709
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 78892568
N-(2,4-difluorophenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222644
N-[4-(1H-imidazol-5-yl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 136577610
N-[3-(methoxymethyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 33288627
N-(6-chloro-3-pyridinyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609907
1-(cyclopropanecarbonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 26115537
N-(1H-benzimidazol-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38790029

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-1,3-benzothiazol-6-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(2-chloro-1,3-benzothiazol-6-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 166239062) is N-(2-chloro-1,3-benzothiazol-6-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-1,3-benzothiazol-6-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-chloro-1,3-benzothiazol-6-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide is O=C(Nc1ccc2nc(Cl)sc2c1)C1CCN(c2cnccn2)CC1.
What is the InChIKey of N-(2-chloro-1,3-benzothiazol-6-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is RECIAWWNKBGUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5OS/c18-17-22-13-2-1-12(9-14(13)25-17)21-16(24)11-3-7-23(8-4-11)15-10-19-5-6-20-15/h1-2,5-6,9-11H,3-4,7-8H2,(H,21,24).
What are the key properties of N-(2-chloro-1,3-benzothiazol-6-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-(2-chloro-1,3-benzothiazol-6-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 373.87 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-1,3-benzothiazol-6-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 166239062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).