ethyl 2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetate

C10H10N2O2S2 — CID 2727532

IUPACethyl 2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetate
SMILESCCOC(=O)CSc1nc2cccnc2s1
InChIInChI=1S/C10H10N2O2S2/c1-2-14-8(13)6-15-10-12-7-4-3-5-11-9(7)16-10/h3-5H,2,6H2,1H3
InChIKeySCDRJDCSZVYUCB-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.35
Rot. Bonds4

About ethyl 2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetate

ethyl 2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetate (PubChem CID 2727532) has the molecular formula C10H10N2O2S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is ethyl 2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetate.

Molecular Properties

Compound Nameethyl 2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetate
PubChem CID2727532
Molecular FormulaC10H10N2O2S2
Molecular Weight254.34 g/mol
Exact Mass254.02
IUPAC Nameethyl 2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetate
SMILESCCOC(=O)CSc1nc2cccnc2s1
InChIInChI=1S/C10H10N2O2S2/c1-2-14-8(13)6-15-10-12-7-4-3-5-11-9(7)16-10/h3-5H,2,6H2,1H3
InChIKeySCDRJDCSZVYUCB-UHFFFAOYSA-N
XLogP2.35
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetate?
The IUPAC name of ethyl 2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetate (CID 2727532) is ethyl 2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetate.
What is the SMILES notation for ethyl 2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetate?
The canonical SMILES for ethyl 2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetate is CCOC(=O)CSc1nc2cccnc2s1.
What is the InChIKey of ethyl 2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetate?
The InChIKey is SCDRJDCSZVYUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c1-2-14-8(13)6-15-10-12-7-4-3-5-11-9(7)16-10/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetate?
ethyl 2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetate has a molecular weight of 254.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetate is sourced from PubChem (CID 2727532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).