methyl 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate

C8H5ClN2O2S — CID 76849981

IUPACmethyl 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cnc2nc(Cl)sc2c1
InChIInChI=1S/C8H5ClN2O2S/c1-13-7(12)4-2-5-6(10-3-4)11-8(9)14-5/h2-3H,1H3
InChIKeyLPUUGHHBPBOPQH-UHFFFAOYSA-N
MW228.66 g/mol
LogP2.13
Rot. Bonds1

About methyl 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate

methyl 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate (PubChem CID 76849981) has the molecular formula C8H5ClN2O2S and a molecular weight of 228.66 g/mol. Its IUPAC name is methyl 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
PubChem CID76849981
Molecular FormulaC8H5ClN2O2S
Molecular Weight228.66 g/mol
Exact Mass227.98
IUPAC Namemethyl 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cnc2nc(Cl)sc2c1
InChIInChI=1S/C8H5ClN2O2S/c1-13-7(12)4-2-5-6(10-3-4)11-8(9)14-5/h2-3H,1H3
InChIKeyLPUUGHHBPBOPQH-UHFFFAOYSA-N
XLogP2.13
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.66
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate 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

methyl 2-(5-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 121379369
methyl 6-chloro-7-methoxy-1,8-naphthyridine-3-carboxylate
CID 142496373
methyl 2-bromothieno[3,2-b]pyridine-6-carboxylate
CID 117275214
methyl 6-amino-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate
CID 76850392
ethane;methyl 6-chloro-5-methylpyridine-3-carboxylate
CID 170617619
6-bromo-2-chloro-[1,3]thiazolo[4,5-b]pyridine;hydrochloride
CID 67462755
ethyl 2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 86681077
methyl [1,2,5]selenadiazolo[3,4-b]pyridine-6-carboxylate
CID 166001529
methyl 7-chlorophenazine-2-carboxylate
CID 154715967
methyl 1H-imidazo[4,5-b]pyridine-6-carboxylate
CID 71433321
methyl 2-(1-chloroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylate
CID 104663584
methyl 6-amino-2-chloro-1,3-benzothiazole-5-carboxylate
CID 84728269

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
The IUPAC name of methyl 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate (CID 76849981) is methyl 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate is COC(=O)c1cnc2nc(Cl)sc2c1.
What is the InChIKey of methyl 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
The InChIKey is LPUUGHHBPBOPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O2S/c1-13-7(12)4-2-5-6(10-3-4)11-8(9)14-5/h2-3H,1H3.
What are the key properties of methyl 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
methyl 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate has a molecular weight of 228.66 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate is sourced from PubChem (CID 76849981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).