methyl 2-(2-fluoropropan-2-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate

C11H11FN2O2S — CID 138688244

IUPACmethyl 2-(2-fluoropropan-2-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cnc2nc(C(C)(C)F)sc2c1
InChIInChI=1S/C11H11FN2O2S/c1-11(2,12)10-14-8-7(17-10)4-6(5-13-8)9(15)16-3/h4-5H,1-3H3
InChIKeyZDORHLRHOZCREL-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.68
Rot. Bonds2

About methyl 2-(2-fluoropropan-2-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate

methyl 2-(2-fluoropropan-2-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate (PubChem CID 138688244) has the molecular formula C11H11FN2O2S and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 2-(2-fluoropropan-2-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-fluoropropan-2-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
PubChem CID138688244
Molecular FormulaC11H11FN2O2S
Molecular Weight254.29 g/mol
Exact Mass254.05
IUPAC Namemethyl 2-(2-fluoropropan-2-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cnc2nc(C(C)(C)F)sc2c1
InChIInChI=1S/C11H11FN2O2S/c1-11(2,12)10-14-8-7(17-10)4-6(5-13-8)9(15)16-3/h4-5H,1-3H3
InChIKeyZDORHLRHOZCREL-UHFFFAOYSA-N
XLogP2.68
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluoropropan-2-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(2-fluoropropan-2-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate (CID 138688244) is methyl 2-(2-fluoropropan-2-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(2-fluoropropan-2-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(2-fluoropropan-2-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate is COC(=O)c1cnc2nc(C(C)(C)F)sc2c1.
What is the InChIKey of methyl 2-(2-fluoropropan-2-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
The InChIKey is ZDORHLRHOZCREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2S/c1-11(2,12)10-14-8-7(17-10)4-6(5-13-8)9(15)16-3/h4-5H,1-3H3.
What are the key properties of methyl 2-(2-fluoropropan-2-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
methyl 2-(2-fluoropropan-2-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluoropropan-2-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate is sourced from PubChem (CID 138688244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).