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

C17H22ClN3O2S — CID 22970138

IUPAC1-[2-(4-butylpiperidin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESCCCCC1CCN(C(=O)Cn2c(=O)sc3ncc(Cl)cc32)CC1
InChIInChI=1S/C17H22ClN3O2S/c1-2-3-4-12-5-7-20(8-6-12)15(22)11-21-14-9-13(18)10-19-16(14)24-17(21)23/h9-10,12H,2-8,11H2,1H3
InChIKeyVJAFMJSIDMZPAL-UHFFFAOYSA-N
MW367.90 g/mol
LogP3.54
Rot. Bonds5

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

1-[2-(4-butylpiperidin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one (PubChem CID 22970138) has the molecular formula C17H22ClN3O2S and a molecular weight of 367.90 g/mol. Its IUPAC name is 1-[2-(4-butylpiperidin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-butylpiperidin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one
PubChem CID22970138
Molecular FormulaC17H22ClN3O2S
Molecular Weight367.90 g/mol
Exact Mass367.11
IUPAC Name1-[2-(4-butylpiperidin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESCCCCC1CCN(C(=O)Cn2c(=O)sc3ncc(Cl)cc32)CC1
InChIInChI=1S/C17H22ClN3O2S/c1-2-3-4-12-5-7-20(8-6-12)15(22)11-21-14-9-13(18)10-19-16(14)24-17(21)23/h9-10,12H,2-8,11H2,1H3
InChIKeyVJAFMJSIDMZPAL-UHFFFAOYSA-N
XLogP3.54
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-butylpiperidin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one?
The IUPAC name of 1-[2-(4-butylpiperidin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one (CID 22970138) is 1-[2-(4-butylpiperidin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 1-[2-(4-butylpiperidin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 1-[2-(4-butylpiperidin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one is CCCCC1CCN(C(=O)Cn2c(=O)sc3ncc(Cl)cc32)CC1.
What is the InChIKey of 1-[2-(4-butylpiperidin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one?
The InChIKey is VJAFMJSIDMZPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2S/c1-2-3-4-12-5-7-20(8-6-12)15(22)11-21-14-9-13(18)10-19-16(14)24-17(21)23/h9-10,12H,2-8,11H2,1H3.
What are the key properties of 1-[2-(4-butylpiperidin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one?
1-[2-(4-butylpiperidin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one has a molecular weight of 367.90 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-butylpiperidin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 22970138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).