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

C11H10N2O2S — CID 118644349

IUPACmethyl 2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2sc(C3CC3)nc2n1
InChIInChI=1S/C11H10N2O2S/c1-15-11(14)7-4-5-8-9(12-7)13-10(16-8)6-2-3-6/h4-6H,2-3H2,1H3
InChIKeyWQKADOSPIVRPCM-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.36
Rot. Bonds2

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

methyl 2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxylate (PubChem CID 118644349) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is methyl 2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxylate
PubChem CID118644349
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Namemethyl 2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2sc(C3CC3)nc2n1
InChIInChI=1S/C11H10N2O2S/c1-15-11(14)7-4-5-8-9(12-7)13-10(16-8)6-2-3-6/h4-6H,2-3H2,1H3
InChIKeyWQKADOSPIVRPCM-UHFFFAOYSA-N
XLogP2.36
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate
CID 102537570
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexyl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate
CID 170948217
methyl 6-[[4-(5-chloro-1,3-benzothiazol-2-yl)cyclohexyl]carbamoyl]pyrimidine-4-carboxylate
CID 167090732
methyl 5-fluoro-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate
CID 76850391
ethane;methyl 5-cyclopropyl-1-benzothiophene-2-carboxylate
CID 145106584
methyl 3-chlorothieno[3,2-b]pyridine-5-carboxylate
CID 18950577
methyl [1,3]oxazolo[4,5-b]pyridine-5-carboxylate
CID 130048290
methyl 6-bromo-2-cyclohexyl-1,3-benzothiazole-5-carboxylate
CID 156794818
methyl 5-bromo-6-methoxypyridine-2-carboxylate
CID 46311222
methyl 5-amino-6-(1-cyclopropylethylamino)pyridine-2-carboxylate
CID 114405484
methyl 5-amino-6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylate
CID 114409250
methyl 2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine-6-carboxylate
CID 123134991

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxylate?
The IUPAC name of methyl 2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxylate (CID 118644349) is methyl 2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxylate is COC(=O)c1ccc2sc(C3CC3)nc2n1.
What is the InChIKey of methyl 2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxylate?
The InChIKey is WQKADOSPIVRPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-15-11(14)7-4-5-8-9(12-7)13-10(16-8)6-2-3-6/h4-6H,2-3H2,1H3.
What are the key properties of methyl 2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxylate?
methyl 2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxylate has a molecular weight of 234.28 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxylate is sourced from PubChem (CID 118644349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).