1-(8-hydroxyquinolin-2-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

C22H22N4O3S — CID 86887343

IUPAC1-(8-hydroxyquinolin-2-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESO=C1CCCc2nc(NC(=O)C3CCN(c4ccc5cccc(O)c5n4)CC3)sc21
InChIInChI=1S/C22H22N4O3S/c27-16-5-1-3-13-7-8-18(24-19(13)16)26-11-9-14(10-12-26)21(29)25-22-23-15-4-2-6-17(28)20(15)30-22/h1,3,5,7-8,14,27H,2,4,6,9-12H2,(H,23,25,29)
InChIKeyAWKUSVRXZJQMHP-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.77
Rot. Bonds3

About 1-(8-hydroxyquinolin-2-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

1-(8-hydroxyquinolin-2-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (PubChem CID 86887343) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is 1-(8-hydroxyquinolin-2-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(8-hydroxyquinolin-2-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
PubChem CID86887343
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC Name1-(8-hydroxyquinolin-2-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESO=C1CCCc2nc(NC(=O)C3CCN(c4ccc5cccc(O)c5n4)CC3)sc21
InChIInChI=1S/C22H22N4O3S/c27-16-5-1-3-13-7-8-18(24-19(13)16)26-11-9-14(10-12-26)21(29)25-22-23-15-4-2-6-17(28)20(15)30-22/h1,3,5,7-8,14,27H,2,4,6,9-12H2,(H,23,25,29)
InChIKeyAWKUSVRXZJQMHP-UHFFFAOYSA-N
XLogP3.77
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,6-dichlorophenyl)-5-ethyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-1,2,4-triazole-3-carboxamide
CID 86885275
N-(1,3-benzothiazol-2-yl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118820
N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)cyclopentanecarboxamide
CID 72719972
3,5-dibromo-4-hydroxy-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide
CID 75394873
N-(1,3-benzothiazol-2-yl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide
CID 39088463
(2R)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-2-(1-oxoisoquinolin-2-yl)propanamide
CID 100742903
3-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-5-phenylpentanamide
CID 86885284
1-(cyclopropanecarbonyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 26067271
N-[5-[4-(1,3-benzoxazol-2-yl)piperazine-1-carbonyl]-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]cyclobutanecarboxamide
CID 45237901
N-[(5S)-7-oxo-5-(piperidine-1-carbonyl)-5,6-dihydro-4H-1,3-benzothiazol-2-yl]cyclobutanecarboxamide
CID 26399084
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 71705168
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 847062

Frequently Asked Questions

What is the IUPAC name of 1-(8-hydroxyquinolin-2-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(8-hydroxyquinolin-2-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (CID 86887343) is 1-(8-hydroxyquinolin-2-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(8-hydroxyquinolin-2-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(8-hydroxyquinolin-2-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is O=C1CCCc2nc(NC(=O)C3CCN(c4ccc5cccc(O)c5n4)CC3)sc21.
What is the InChIKey of 1-(8-hydroxyquinolin-2-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is AWKUSVRXZJQMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c27-16-5-1-3-13-7-8-18(24-19(13)16)26-11-9-14(10-12-26)21(29)25-22-23-15-4-2-6-17(28)20(15)30-22/h1,3,5,7-8,14,27H,2,4,6,9-12H2,(H,23,25,29).
What are the key properties of 1-(8-hydroxyquinolin-2-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
1-(8-hydroxyquinolin-2-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-hydroxyquinolin-2-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 86887343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).