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

C9H7ClN2O2S — CID 76850497

IUPACmethyl 4-chloro-6-methyl-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2c(Cl)nc(C)cc2s1
InChIInChI=1S/C9H7ClN2O2S/c1-4-3-5-6(7(10)11-4)12-8(15-5)9(13)14-2/h3H,1-2H3
InChIKeyDNBFDCYQJWTGFX-UHFFFAOYSA-N
MW242.69 g/mol
LogP2.44
Rot. Bonds1

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

methyl 4-chloro-6-methyl-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate (PubChem CID 76850497) has the molecular formula C9H7ClN2O2S and a molecular weight of 242.69 g/mol. Its IUPAC name is methyl 4-chloro-6-methyl-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-6-methyl-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate
PubChem CID76850497
Molecular FormulaC9H7ClN2O2S
Molecular Weight242.69 g/mol
Exact Mass241.99
IUPAC Namemethyl 4-chloro-6-methyl-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2c(Cl)nc(C)cc2s1
InChIInChI=1S/C9H7ClN2O2S/c1-4-3-5-6(7(10)11-4)12-8(15-5)9(13)14-2/h3H,1-2H3
InChIKeyDNBFDCYQJWTGFX-UHFFFAOYSA-N
XLogP2.44
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 50903563
methyl 3-chloro-4-methoxy-6-methylpyridine-2-carboxylate
CID 142574242
methyl 2-ethyl-6-methyl-[1,3]thiazolo[4,5-c]pyridine-4-carboxylate
CID 76850514
methyl 2-chloro-4-(dimethylamino)-6-methylpyridine-3-carboxylate
CID 115036911
methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 2759833
methyl 6-amino-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate
CID 76850392
4-chloro-6-methyl-1,3-benzothiazole-2-carboxylic acid
CID 82373317
ethane;methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 142241895
5-chloro-2-methoxycarbonyl-1,3-thiazole-4-carboxylic acid
CID 84788297
dimethyl 5-amino-3-[(2-chloro-4,6-dimethylpyridine-3-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate
CID 8510950
methyl 6-bromo-2-chloro-1,3-benzothiazole-4-carboxylate
CID 53413026
methyl 4,6-dichloro-5-methylpyrimidine-2-carboxylate
CID 58937974

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-6-methyl-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate?
The IUPAC name of methyl 4-chloro-6-methyl-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate (CID 76850497) is methyl 4-chloro-6-methyl-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-chloro-6-methyl-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-chloro-6-methyl-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate is COC(=O)c1nc2c(Cl)nc(C)cc2s1.
What is the InChIKey of methyl 4-chloro-6-methyl-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate?
The InChIKey is DNBFDCYQJWTGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S/c1-4-3-5-6(7(10)11-4)12-8(15-5)9(13)14-2/h3H,1-2H3.
What are the key properties of methyl 4-chloro-6-methyl-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate?
methyl 4-chloro-6-methyl-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate has a molecular weight of 242.69 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-6-methyl-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate is sourced from PubChem (CID 76850497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).