methyl 2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate

C9H7ClN2O3S — CID 14098030

IUPACmethyl 2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate
SMILESCOC(=O)Cn1c(=O)sc2ncc(Cl)cc21
InChIInChI=1S/C9H7ClN2O3S/c1-15-7(13)4-12-6-2-5(10)3-11-8(6)16-9(12)14/h2-3H,4H2,1H3
InChIKeySZFDLJGVIDRSON-UHFFFAOYSA-N
MW258.69 g/mol
LogP1.28
Rot. Bonds2

About methyl 2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate

methyl 2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate (PubChem CID 14098030) has the molecular formula C9H7ClN2O3S and a molecular weight of 258.69 g/mol. Its IUPAC name is methyl 2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate
PubChem CID14098030
Molecular FormulaC9H7ClN2O3S
Molecular Weight258.69 g/mol
Exact Mass257.99
IUPAC Namemethyl 2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate
SMILESCOC(=O)Cn1c(=O)sc2ncc(Cl)cc21
InChIInChI=1S/C9H7ClN2O3S/c1-15-7(13)4-12-6-2-5(10)3-11-8(6)16-9(12)14/h2-3H,4H2,1H3
InChIKeySZFDLJGVIDRSON-UHFFFAOYSA-N
XLogP1.28
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.69
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-(6-bromo-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate
CID 2747577
3-Acetamido-5-chloro-2-(ethoxycarbonylmethylthio)pyridine
CID 129783242
6-Chlorothiazolo[5,4-b]pyridin-2(1H)-one
CID 2747576
6-Chloro-1-carboxymethyl-2-oxo-1,2-dihydrothiazolo[5,4-b]pyridine
CID 11010206
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-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
Methyl 2-(5-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate
CID 14423129
6-Chloro-1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 15388887
6-Chloro-1-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethenyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 17769186

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate?
The IUPAC name of methyl 2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate (CID 14098030) is methyl 2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate.
What is the SMILES notation for methyl 2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate?
The canonical SMILES for methyl 2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate is COC(=O)Cn1c(=O)sc2ncc(Cl)cc21.
What is the InChIKey of methyl 2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate?
The InChIKey is SZFDLJGVIDRSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O3S/c1-15-7(13)4-12-6-2-5(10)3-11-8(6)16-9(12)14/h2-3H,4H2,1H3.
What are the key properties of methyl 2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate?
methyl 2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate has a molecular weight of 258.69 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate is sourced from PubChem (CID 14098030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).