6-chloro-1-[2-[4-(4-hydroxybutyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one

C17H22ClN3O3S — CID 67718351

IUPAC6-chloro-1-[2-[4-(4-hydroxybutyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESO=C(Cn1c(=O)sc2ncc(Cl)cc21)N1CCC(CCCCO)CC1
InChIInChI=1S/C17H22ClN3O3S/c18-13-9-14-16(19-10-13)25-17(24)21(14)11-15(23)20-6-4-12(5-7-20)3-1-2-8-22/h9-10,12,22H,1-8,11H2
InChIKeyWCLXRGSWRCBMGY-UHFFFAOYSA-N
MW383.90 g/mol
LogP2.51
Rot. Bonds6

About 6-chloro-1-[2-[4-(4-hydroxybutyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one

6-chloro-1-[2-[4-(4-hydroxybutyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one (PubChem CID 67718351) has the molecular formula C17H22ClN3O3S and a molecular weight of 383.90 g/mol. Its IUPAC name is 6-chloro-1-[2-[4-(4-hydroxybutyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-1-[2-[4-(4-hydroxybutyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
PubChem CID67718351
Molecular FormulaC17H22ClN3O3S
Molecular Weight383.90 g/mol
Exact Mass383.11
IUPAC Name6-chloro-1-[2-[4-(4-hydroxybutyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESO=C(Cn1c(=O)sc2ncc(Cl)cc21)N1CCC(CCCCO)CC1
InChIInChI=1S/C17H22ClN3O3S/c18-13-9-14-16(19-10-13)25-17(24)21(14)11-15(23)20-6-4-12(5-7-20)3-1-2-8-22/h9-10,12,22H,1-8,11H2
InChIKeyWCLXRGSWRCBMGY-UHFFFAOYSA-N
XLogP2.51
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-Chloro-2-oxo-1-{[4-(2-hydroxyethyl)-1-piperazinyl]carbonylmethyl]-1,2-dihydrothiazolo[5,4-b]pyridine
CID 14423121
6-Chloro-2-oxo-1-[(4-methyl-1-piperazinyl)carbonylmethyl]-1,2-dihydrothiazolo[5,4-b]pyridine
CID 14423122
6-Chloro-2-oxo-1-[(4-acetonyl-1-piperazinyl)carbonylmethyl]-1,2-dihydrothiazolo[5,4-b]pyridine
CID 14423125
6-Chloro-1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 15388887
1-[2-(4-Butylpiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 20795370
6-Chloro-2-oxo-1-[(4-nitroso-1-piperazinyl)carbonylmethyl]-1,2-dihydrothiazolo[5,4-b]pyridine
CID 21278874
1-[2-(4-Butylpiperidin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 22970138
6-Chloro-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 67718415
6-Bromo-1-[2-[4-(6-hydroxyhexyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 67718516
6-Bromo-1-[2-[4-(4-hydroxybutyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 67718578
6-Chloro-1-[2-[4-(6-hydroxyhexyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 67719042
6-Bromo-1-[2-[4-(3-hydroxypropyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 67719096

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[2-[4-(4-hydroxybutyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
The IUPAC name of 6-chloro-1-[2-[4-(4-hydroxybutyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one (CID 67718351) is 6-chloro-1-[2-[4-(4-hydroxybutyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 6-chloro-1-[2-[4-(4-hydroxybutyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 6-chloro-1-[2-[4-(4-hydroxybutyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one is O=C(Cn1c(=O)sc2ncc(Cl)cc21)N1CCC(CCCCO)CC1.
What is the InChIKey of 6-chloro-1-[2-[4-(4-hydroxybutyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
The InChIKey is WCLXRGSWRCBMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3S/c18-13-9-14-16(19-10-13)25-17(24)21(14)11-15(23)20-6-4-12(5-7-20)3-1-2-8-22/h9-10,12,22H,1-8,11H2.
What are the key properties of 6-chloro-1-[2-[4-(4-hydroxybutyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
6-chloro-1-[2-[4-(4-hydroxybutyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one has a molecular weight of 383.90 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[2-[4-(4-hydroxybutyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 67718351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).