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

C8H5ClN2O2S — CID 130055645

IUPACmethyl 5-chloro-[1,3]thiazolo[5,4-b]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2ccc(Cl)nc2s1
InChIInChI=1S/C8H5ClN2O2S/c1-13-8(12)7-10-4-2-3-5(9)11-6(4)14-7/h2-3H,1H3
InChIKeyKCTKQZFZFZGWRU-UHFFFAOYSA-N
MW228.66 g/mol
LogP2.13
Rot. Bonds1

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

methyl 5-chloro-[1,3]thiazolo[5,4-b]pyridine-2-carboxylate (PubChem CID 130055645) has the molecular formula C8H5ClN2O2S and a molecular weight of 228.66 g/mol. Its IUPAC name is methyl 5-chloro-[1,3]thiazolo[5,4-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-[1,3]thiazolo[5,4-b]pyridine-2-carboxylate
PubChem CID130055645
Molecular FormulaC8H5ClN2O2S
Molecular Weight228.66 g/mol
Exact Mass227.98
IUPAC Namemethyl 5-chloro-[1,3]thiazolo[5,4-b]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2ccc(Cl)nc2s1
InChIInChI=1S/C8H5ClN2O2S/c1-13-8(12)7-10-4-2-3-5(9)11-6(4)14-7/h2-3H,1H3
InChIKeyKCTKQZFZFZGWRU-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

Computed Properties (RDKit)

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

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Related Compounds

methyl [1,3]thiazolo[5,4-c]pyridine-2-carboxylate
CID 83387319
methyl 6-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130095660
5-chloro-2-methoxycarbonyl-1,3-thiazole-4-carboxylic acid
CID 84788297
methyl 5-(aminomethyl)-1,3-benzothiazole-2-carboxylate
CID 84788633
methyl 2-chloroquinoxaline-6-carboxylate
CID 131395472
methyl 4-chloropyrimidine-2-carboxylate
CID 64989066
methyl 6-amino-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate
CID 76850392
methyl 4-chloro-6-methyl-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate
CID 76850497
methyl 6-chloro-3-(methoxymethyl)pyridine-2-carboxylate
CID 140938984
methyl 6-chloro-2-(2,3,4,5,6-pentachlorophenyl)pyridine-3-carboxylate
CID 134637790
methyl 6-chloro-3-nitropyridine-2-carboxylate
CID 122129855
methyl 5-[(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-methylamino]-2-chlorobenzoate
CID 87816801

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-[1,3]thiazolo[5,4-b]pyridine-2-carboxylate?
The IUPAC name of methyl 5-chloro-[1,3]thiazolo[5,4-b]pyridine-2-carboxylate (CID 130055645) is methyl 5-chloro-[1,3]thiazolo[5,4-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-chloro-[1,3]thiazolo[5,4-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-chloro-[1,3]thiazolo[5,4-b]pyridine-2-carboxylate is COC(=O)c1nc2ccc(Cl)nc2s1.
What is the InChIKey of methyl 5-chloro-[1,3]thiazolo[5,4-b]pyridine-2-carboxylate?
The InChIKey is KCTKQZFZFZGWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O2S/c1-13-8(12)7-10-4-2-3-5(9)11-6(4)14-7/h2-3H,1H3.
What are the key properties of methyl 5-chloro-[1,3]thiazolo[5,4-b]pyridine-2-carboxylate?
methyl 5-chloro-[1,3]thiazolo[5,4-b]pyridine-2-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 5-chloro-[1,3]thiazolo[5,4-b]pyridine-2-carboxylate is sourced from PubChem (CID 130055645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).