[1,3]thiazolo[5,4-b]pyridin-7-yl 2-methylpropanoate

C10H10N2O2S — CID 141381296

IUPAC[1,3]thiazolo[5,4-b]pyridin-7-yl 2-methylpropanoate
SMILESCC(C)C(=O)Oc1ccnc2scnc12
InChIInChI=1S/C10H10N2O2S/c1-6(2)10(13)14-7-3-4-11-9-8(7)12-5-15-9/h3-6H,1-2H3
InChIKeyNAHYKHVHWOKRGW-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.25
Rot. Bonds2

About [1,3]thiazolo[5,4-b]pyridin-7-yl 2-methylpropanoate

[1,3]thiazolo[5,4-b]pyridin-7-yl 2-methylpropanoate (PubChem CID 141381296) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is [1,3]thiazolo[5,4-b]pyridin-7-yl 2-methylpropanoate.

Molecular Properties

Compound Name[1,3]thiazolo[5,4-b]pyridin-7-yl 2-methylpropanoate
PubChem CID141381296
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name[1,3]thiazolo[5,4-b]pyridin-7-yl 2-methylpropanoate
SMILESCC(C)C(=O)Oc1ccnc2scnc12
InChIInChI=1S/C10H10N2O2S/c1-6(2)10(13)14-7-3-4-11-9-8(7)12-5-15-9/h3-6H,1-2H3
InChIKeyNAHYKHVHWOKRGW-UHFFFAOYSA-N
XLogP2.25
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1,3]thiazolo[5,4-b]pyridin-7-yl 2-methylpropanoate?
The IUPAC name of [1,3]thiazolo[5,4-b]pyridin-7-yl 2-methylpropanoate (CID 141381296) is [1,3]thiazolo[5,4-b]pyridin-7-yl 2-methylpropanoate.
What is the SMILES notation for [1,3]thiazolo[5,4-b]pyridin-7-yl 2-methylpropanoate?
The canonical SMILES for [1,3]thiazolo[5,4-b]pyridin-7-yl 2-methylpropanoate is CC(C)C(=O)Oc1ccnc2scnc12.
What is the InChIKey of [1,3]thiazolo[5,4-b]pyridin-7-yl 2-methylpropanoate?
The InChIKey is NAHYKHVHWOKRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-6(2)10(13)14-7-3-4-11-9-8(7)12-5-15-9/h3-6H,1-2H3.
What are the key properties of [1,3]thiazolo[5,4-b]pyridin-7-yl 2-methylpropanoate?
[1,3]thiazolo[5,4-b]pyridin-7-yl 2-methylpropanoate has a molecular weight of 222.27 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]thiazolo[5,4-b]pyridin-7-yl 2-methylpropanoate is sourced from PubChem (CID 141381296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).