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

C8H5FN2O2S — CID 76850391

IUPACmethyl 5-fluoro-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2nc(F)ccc2s1
InChIInChI=1S/C8H5FN2O2S/c1-13-8(12)7-11-6-4(14-7)2-3-5(9)10-6/h2-3H,1H3
InChIKeyMBADKTVBPWAMEE-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.62
Rot. Bonds1

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

methyl 5-fluoro-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate (PubChem CID 76850391) has the molecular formula C8H5FN2O2S and a molecular weight of 212.20 g/mol. Its IUPAC name is methyl 5-fluoro-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate
PubChem CID76850391
Molecular FormulaC8H5FN2O2S
Molecular Weight212.20 g/mol
Exact Mass212.01
IUPAC Namemethyl 5-fluoro-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2nc(F)ccc2s1
InChIInChI=1S/C8H5FN2O2S/c1-13-8(12)7-11-6-4(14-7)2-3-5(9)10-6/h2-3H,1H3
InChIKeyMBADKTVBPWAMEE-UHFFFAOYSA-N
XLogP1.62
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze methyl 5-fluoro-[1,3]thiazolo[4,5-b]pyridine-2-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 6-amino-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate
CID 76850392
methyl [1,3]thiazolo[5,4-c]pyridine-2-carboxylate
CID 83387319
methyl 5-(aminomethyl)-1,3-benzothiazole-2-carboxylate
CID 84788633
methyl 2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxylate
CID 118644349
methyl 4-chloro-6-methyl-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate
CID 76850497
methyl 5-chloro-[1,3]thiazolo[5,4-b]pyridine-2-carboxylate
CID 130055645
methyl 5-[(4-tert-butylbenzoyl)amino]-1,3-benzothiazole-2-carboxylate
CID 11222409
methyl 5,6-difluoro-1-benzothiophene-2-carboxylate
CID 165347141
dimethyl 4-(trifluoromethyl)-1,3-thiazole-2,5-dicarboxylate
CID 131859626
5-(5-fluoro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-methylpyridin-2-amine
CID 70846385
5-chloro-2-methoxycarbonyl-1,3-thiazole-4-carboxylic acid
CID 84788297
methyl 4-(4-methylsulfanylphenyl)-1,3-thiazole-2-carboxylate
CID 116966354

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate?
The IUPAC name of methyl 5-fluoro-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate (CID 76850391) is methyl 5-fluoro-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-fluoro-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-fluoro-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate is COC(=O)c1nc2nc(F)ccc2s1.
What is the InChIKey of methyl 5-fluoro-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate?
The InChIKey is MBADKTVBPWAMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O2S/c1-13-8(12)7-11-6-4(14-7)2-3-5(9)10-6/h2-3H,1H3.
What are the key properties of methyl 5-fluoro-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate?
methyl 5-fluoro-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate has a molecular weight of 212.20 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate is sourced from PubChem (CID 76850391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).