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

C8H5ClN2O3S — CID 11010206

IUPAC2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetic acid
SMILESO=C(O)Cn1c(=O)sc2ncc(Cl)cc21
InChIInChI=1S/C8H5ClN2O3S/c9-4-1-5-7(10-2-4)15-8(14)11(5)3-6(12)13/h1-2H,3H2,(H,12,13)
InChIKeyXHDYPSPRTWSYRO-UHFFFAOYSA-N
MW244.66 g/mol
LogP1.20
Rot. Bonds2

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

2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetic acid (PubChem CID 11010206) has the molecular formula C8H5ClN2O3S and a molecular weight of 244.66 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetic acid
PubChem CID11010206
Molecular FormulaC8H5ClN2O3S
Molecular Weight244.66 g/mol
Exact Mass243.97
IUPAC Name2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetic acid
SMILESO=C(O)Cn1c(=O)sc2ncc(Cl)cc21
InChIInChI=1S/C8H5ClN2O3S/c9-4-1-5-7(10-2-4)15-8(14)11(5)3-6(12)13/h1-2H,3H2,(H,12,13)
InChIKeyXHDYPSPRTWSYRO-UHFFFAOYSA-N
XLogP1.20
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.66
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Chlorothiazolo[5,4-b]pyridin-2(1H)-one
CID 2747576
2-(6-Bromo-2-oxothiazolo[5,4-b]pyridin-1(2H)-yl)acetic acid
CID 11098211
6-Chloro-1-methoxycarbonylmethyl-2-oxo-1,2-dihydrothiazolo[5,4-b]pyridine
CID 14098030
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
5-Chloro-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 14423123
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
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
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 2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetic acid?
The IUPAC name of 2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetic acid (CID 11010206) is 2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetic acid.
What is the SMILES notation for 2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetic acid?
The canonical SMILES for 2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetic acid is O=C(O)Cn1c(=O)sc2ncc(Cl)cc21.
What is the InChIKey of 2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetic acid?
The InChIKey is XHDYPSPRTWSYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O3S/c9-4-1-5-7(10-2-4)15-8(14)11(5)3-6(12)13/h1-2H,3H2,(H,12,13).
What are the key properties of 2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetic acid?
2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetic acid has a molecular weight of 244.66 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetic acid is sourced from PubChem (CID 11010206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).