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

C14H17ClN4O3S — CID 14423121

IUPAC6-chloro-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESO=C(Cn1c(=O)sc2ncc(Cl)cc21)N1CCN(CCO)CC1
InChIInChI=1S/C14H17ClN4O3S/c15-10-7-11-13(16-8-10)23-14(22)19(11)9-12(21)18-3-1-17(2-4-18)5-6-20/h7-8,20H,1-6,9H2
InChIKeyUASAULXYJMNYTK-UHFFFAOYSA-N
MW356.84 g/mol
LogP0.25
Rot. Bonds4

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

6-chloro-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one (PubChem CID 14423121) has the molecular formula C14H17ClN4O3S and a molecular weight of 356.84 g/mol. Its IUPAC name is 6-chloro-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
PubChem CID14423121
Molecular FormulaC14H17ClN4O3S
Molecular Weight356.84 g/mol
Exact Mass356.07
IUPAC Name6-chloro-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESO=C(Cn1c(=O)sc2ncc(Cl)cc21)N1CCN(CCO)CC1
InChIInChI=1S/C14H17ClN4O3S/c15-10-7-11-13(16-8-10)23-14(22)19(11)9-12(21)18-3-1-17(2-4-18)5-6-20/h7-8,20H,1-6,9H2
InChIKeyUASAULXYJMNYTK-UHFFFAOYSA-N
XLogP0.25
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.84
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-Chloro-1-carboxymethyl-2-oxo-1,2-dihydrothiazolo[5,4-b]pyridine
CID 11010206
6-Chloro-1-methoxycarbonylmethyl-2-oxo-1,2-dihydrothiazolo[5,4-b]pyridine
CID 14098030
6-Chloro-2-oxo-1-[(4-methyl-1-piperazinyl)carbonylmethyl]-1,2-dihydrothiazolo[5,4-b]pyridine
CID 14423122
5-Chloro-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 14423123
Thiazolo[5,4-b]pyridin-2(1H)-one, 5-chloro-1-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-
CID 14423124
6-Chloro-2-oxo-1-[(4-acetonyl-1-piperazinyl)carbonylmethyl]-1,2-dihydrothiazolo[5,4-b]pyridine
CID 14423125
6-Chloro-2-oxo-1-{[4-(2-acetoxyethyl)-1-piperazinyl]carbonylmethyl}-1,2-dihydrothiazolo[5,4-b]pyridine
CID 14423126
2-[4-[2-(5-Chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetyl]piperazin-1-yl]ethyl acetate
CID 14423127
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-(2-Hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 15592469
6-Chloro-1-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethenyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 17769186
2-[4-[1-(6-Chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)-2-oxoethenyl]piperazin-1-yl]ethyl acetate
CID 17769190

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
The IUPAC name of 6-chloro-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one (CID 14423121) is 6-chloro-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 6-chloro-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 6-chloro-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one is O=C(Cn1c(=O)sc2ncc(Cl)cc21)N1CCN(CCO)CC1.
What is the InChIKey of 6-chloro-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
The InChIKey is UASAULXYJMNYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O3S/c15-10-7-11-13(16-8-10)23-14(22)19(11)9-12(21)18-3-1-17(2-4-18)5-6-20/h7-8,20H,1-6,9H2.
What are the key properties of 6-chloro-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
6-chloro-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one has a molecular weight of 356.84 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 14423121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).