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

C17H24Cl2N4O2S — CID 67720957

IUPAC6-chloro-1-[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride
SMILESCN(C)CCC1CCN(C(=O)Cn2c(=O)sc3ncc(Cl)cc32)CC1.Cl
InChIInChI=1S/C17H23ClN4O2S.ClH/c1-20(2)6-3-12-4-7-21(8-5-12)15(23)11-22-14-9-13(18)10-19-16(14)25-17(22)24;/h9-10,12H,3-8,11H2,1-2H3;1H
InChIKeyYFMHQUAMZLNVLH-UHFFFAOYSA-N
MW419.38 g/mol
LogP2.72
Rot. Bonds5

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

6-chloro-1-[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride (PubChem CID 67720957) has the molecular formula C17H24Cl2N4O2S and a molecular weight of 419.38 g/mol. Its IUPAC name is 6-chloro-1-[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name6-chloro-1-[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride
PubChem CID67720957
Molecular FormulaC17H24Cl2N4O2S
Molecular Weight419.38 g/mol
Exact Mass418.10
IUPAC Name6-chloro-1-[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride
SMILESCN(C)CCC1CCN(C(=O)Cn2c(=O)sc3ncc(Cl)cc32)CC1.Cl
InChIInChI=1S/C17H23ClN4O2S.ClH/c1-20(2)6-3-12-4-7-21(8-5-12)15(23)11-22-14-9-13(18)10-19-16(14)25-17(22)24;/h9-10,12H,3-8,11H2,1-2H3;1H
InChIKeyYFMHQUAMZLNVLH-UHFFFAOYSA-N
XLogP2.72
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride?
The IUPAC name of 6-chloro-1-[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride (CID 67720957) is 6-chloro-1-[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride.
What is the SMILES notation for 6-chloro-1-[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride?
The canonical SMILES for 6-chloro-1-[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride is CN(C)CCC1CCN(C(=O)Cn2c(=O)sc3ncc(Cl)cc32)CC1.Cl.
What is the InChIKey of 6-chloro-1-[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride?
The InChIKey is YFMHQUAMZLNVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O2S.ClH/c1-20(2)6-3-12-4-7-21(8-5-12)15(23)11-22-14-9-13(18)10-19-16(14)25-17(22)24;/h9-10,12H,3-8,11H2,1-2H3;1H.
What are the key properties of 6-chloro-1-[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride?
6-chloro-1-[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride has a molecular weight of 419.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride is sourced from PubChem (CID 67720957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).