2-(4-oxo-4-piperidin-1-ylbutyl)-1,3-thiazole-5-carboxamide;hydrochloride

C13H20ClN3O2S — CID 141096439

IUPAC2-(4-oxo-4-piperidin-1-ylbutyl)-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cnc(CCCC(=O)N2CCCCC2)s1
InChIInChI=1S/C13H19N3O2S.ClH/c14-13(18)10-9-15-11(19-10)5-4-6-12(17)16-7-2-1-3-8-16;/h9H,1-8H2,(H2,14,18);1H
InChIKeyAZVDAEOVMMFYNM-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.00
Rot. Bonds5

About 2-(4-oxo-4-piperidin-1-ylbutyl)-1,3-thiazole-5-carboxamide;hydrochloride

2-(4-oxo-4-piperidin-1-ylbutyl)-1,3-thiazole-5-carboxamide;hydrochloride (PubChem CID 141096439) has the molecular formula C13H20ClN3O2S and a molecular weight of 317.84 g/mol. Its IUPAC name is 2-(4-oxo-4-piperidin-1-ylbutyl)-1,3-thiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(4-oxo-4-piperidin-1-ylbutyl)-1,3-thiazole-5-carboxamide;hydrochloride
PubChem CID141096439
Molecular FormulaC13H20ClN3O2S
Molecular Weight317.84 g/mol
Exact Mass317.10
IUPAC Name2-(4-oxo-4-piperidin-1-ylbutyl)-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cnc(CCCC(=O)N2CCCCC2)s1
InChIInChI=1S/C13H19N3O2S.ClH/c14-13(18)10-9-15-11(19-10)5-4-6-12(17)16-7-2-1-3-8-16;/h9H,1-8H2,(H2,14,18);1H
InChIKeyAZVDAEOVMMFYNM-UHFFFAOYSA-N
XLogP2.00
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-morpholin-4-yl-4-oxobutyl)-1,3-thiazole-5-carboxamide
CID 141096442
2-(4-oxo-4-piperidin-1-ylbutyl)benzamide
CID 173169536
8-(azonan-1-yl)-8-oxooctanamide
CID 54569305
5-[4-(azepan-1-yl)-4-oxobutyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46320288
1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
3-[(5-amino-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 102768981
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
2,3,5-trimethyl-6-(4-oxo-4-piperidin-1-ylbutyl)cyclohexa-2,5-diene-1,4-dione
CID 67159467
3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-piperidin-1-ylpropan-1-one
CID 110385811
6-(azepan-1-yl)-6-oxohexanamide;hexane-1,6-diamine
CID 174378277
(3S)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide
CID 95167865
6-(azepan-1-yl)-6-oxohexanamide;dodecane
CID 174982677

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-4-piperidin-1-ylbutyl)-1,3-thiazole-5-carboxamide;hydrochloride?
The IUPAC name of 2-(4-oxo-4-piperidin-1-ylbutyl)-1,3-thiazole-5-carboxamide;hydrochloride (CID 141096439) is 2-(4-oxo-4-piperidin-1-ylbutyl)-1,3-thiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-(4-oxo-4-piperidin-1-ylbutyl)-1,3-thiazole-5-carboxamide;hydrochloride?
The canonical SMILES for 2-(4-oxo-4-piperidin-1-ylbutyl)-1,3-thiazole-5-carboxamide;hydrochloride is Cl.NC(=O)c1cnc(CCCC(=O)N2CCCCC2)s1.
What is the InChIKey of 2-(4-oxo-4-piperidin-1-ylbutyl)-1,3-thiazole-5-carboxamide;hydrochloride?
The InChIKey is AZVDAEOVMMFYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S.ClH/c14-13(18)10-9-15-11(19-10)5-4-6-12(17)16-7-2-1-3-8-16;/h9H,1-8H2,(H2,14,18);1H.
What are the key properties of 2-(4-oxo-4-piperidin-1-ylbutyl)-1,3-thiazole-5-carboxamide;hydrochloride?
2-(4-oxo-4-piperidin-1-ylbutyl)-1,3-thiazole-5-carboxamide;hydrochloride has a molecular weight of 317.84 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-4-piperidin-1-ylbutyl)-1,3-thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 141096439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).