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

C8H7N3O2S — CID 76850392

IUPACmethyl 6-amino-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2ncc(N)cc2s1
InChIInChI=1S/C8H7N3O2S/c1-13-8(12)7-11-6-5(14-7)2-4(9)3-10-6/h2-3H,9H2,1H3
InChIKeyCXMNNDDQVNEMOB-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.06
Rot. Bonds1

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

methyl 6-amino-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate (PubChem CID 76850392) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is methyl 6-amino-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate
PubChem CID76850392
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Namemethyl 6-amino-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2ncc(N)cc2s1
InChIInChI=1S/C8H7N3O2S/c1-13-8(12)7-11-6-5(14-7)2-4(9)3-10-6/h2-3H,9H2,1H3
InChIKeyCXMNNDDQVNEMOB-UHFFFAOYSA-N
XLogP1.06
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-amino-[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 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 76849981
2-chloro-[1,3]thiazolo[4,5-b]pyridin-6-amine
CID 84660344
2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine
CID 117275717
methyl 5-fluoro-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate
CID 76850391
methyl 2,5-diaminopyridine-3-carboxylate
CID 83792494
methyl 5-(aminomethyl)-1,3-benzothiazole-2-carboxylate
CID 84788633
methyl [1,3]thiazolo[5,4-c]pyridine-2-carboxylate
CID 83387319
methyl 5-aminofuro[2,3-b]pyridine-2-carboxylate
CID 45356738
methyl 4-chloro-6-methyl-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate
CID 76850497
methyl 2-amino-5-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 76849978
methyl 5-(methylsulfonylmethyl)-1,3-thiazole-2-carboxylate
CID 164907541
methyl 5-chloro-[1,3]thiazolo[5,4-b]pyridine-2-carboxylate
CID 130055645

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate?
The IUPAC name of methyl 6-amino-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate (CID 76850392) is methyl 6-amino-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-amino-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-amino-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate is COC(=O)c1nc2ncc(N)cc2s1.
What is the InChIKey of methyl 6-amino-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate?
The InChIKey is CXMNNDDQVNEMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c1-13-8(12)7-11-6-5(14-7)2-4(9)3-10-6/h2-3H,9H2,1H3.
What are the key properties of methyl 6-amino-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate?
methyl 6-amino-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate has a molecular weight of 209.23 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate is sourced from PubChem (CID 76850392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).