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

C8H6ClN3O2S — CID 76849978

IUPACmethyl 2-amino-5-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cc2sc(N)nc2nc1Cl
InChIInChI=1S/C8H6ClN3O2S/c1-14-7(13)3-2-4-6(11-5(3)9)12-8(10)15-4/h2H,1H3,(H2,10,11,12)
InChIKeyHPFZOHVXGXODTN-UHFFFAOYSA-N
MW243.67 g/mol
LogP1.71
Rot. Bonds1

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

methyl 2-amino-5-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate (PubChem CID 76849978) has the molecular formula C8H6ClN3O2S and a molecular weight of 243.67 g/mol. Its IUPAC name is methyl 2-amino-5-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
PubChem CID76849978
Molecular FormulaC8H6ClN3O2S
Molecular Weight243.67 g/mol
Exact Mass242.99
IUPAC Namemethyl 2-amino-5-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cc2sc(N)nc2nc1Cl
InChIInChI=1S/C8H6ClN3O2S/c1-14-7(13)3-2-4-6(11-5(3)9)12-8(10)15-4/h2H,1H3,(H2,10,11,12)
InChIKeyHPFZOHVXGXODTN-UHFFFAOYSA-N
XLogP1.71
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.67
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2,6-diamino-1,3-benzothiazole-5-carboxylate
CID 84725218
methyl 2,6-dichloro-5-methylpyridine-3-carboxylate
CID 14364375
methyl 6-amino-2,3-dichloropyridine-4-carboxylate
CID 130951422
methyl 6-amino-2-chloro-1,3-benzothiazole-5-carboxylate
CID 84728269
methyl 2-amino-4-hydroxy-1,3-benzothiazole-6-carboxylate
CID 131616510
methyl 2-amino-5-methyl-1,3-benzothiazole-7-carboxylate
CID 130063207
methyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate
CID 15228412
methyl 2-amino-5-bromo-6-chloropyridine-3-carboxylate
CID 131521858
methyl 2-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 119054849
methyl 2-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 130074421
methyl 2-chloro-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 169249189
methyl 4-amino-3-chloro-6-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxylate
CID 22677456

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
The IUPAC name of methyl 2-amino-5-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate (CID 76849978) is methyl 2-amino-5-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-amino-5-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-amino-5-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate is COC(=O)c1cc2sc(N)nc2nc1Cl.
What is the InChIKey of methyl 2-amino-5-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
The InChIKey is HPFZOHVXGXODTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O2S/c1-14-7(13)3-2-4-6(11-5(3)9)12-8(10)15-4/h2H,1H3,(H2,10,11,12).
What are the key properties of methyl 2-amino-5-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
methyl 2-amino-5-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate has a molecular weight of 243.67 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate is sourced from PubChem (CID 76849978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).