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

C10H8F2N2O3S2 — CID 15035783

IUPACethyl 2,2-difluoro-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)acetate
SMILESCCOC(=O)C(F)(F)S(=O)c1nc2cccnc2s1
InChIInChI=1S/C10H8F2N2O3S2/c1-2-17-8(15)10(11,12)19(16)9-14-6-4-3-5-13-7(6)18-9/h3-5H,2H2,1H3
InChIKeyCOPDJVDAAVNERI-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.95
Rot. Bonds4

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

ethyl 2,2-difluoro-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)acetate (PubChem CID 15035783) has the molecular formula C10H8F2N2O3S2 and a molecular weight of 306.32 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)acetate
PubChem CID15035783
Molecular FormulaC10H8F2N2O3S2
Molecular Weight306.32 g/mol
Exact Mass305.99
IUPAC Nameethyl 2,2-difluoro-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)acetate
SMILESCCOC(=O)C(F)(F)S(=O)c1nc2cccnc2s1
InChIInChI=1S/C10H8F2N2O3S2/c1-2-17-8(15)10(11,12)19(16)9-14-6-4-3-5-13-7(6)18-9/h3-5H,2H2,1H3
InChIKeyCOPDJVDAAVNERI-UHFFFAOYSA-N
XLogP1.95
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

ME-3407
CID 6918179
acs.jmedchem.1c00409_ST.459
CID 46891201
Ethyl (1,3)thiazolo(5,4-b)pyridine-2-carboxylate
CID 65335468
2-(Methylthio)thiazolo[5,4-b]pyridine
CID 699840
Ethyl 2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetate
CID 2727532
2-([1,3]Thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetic acid
CID 2810546
Methyl 2-{[1,3]thiazolo[4,5-c]pyridin-2-yl}acetate
CID 79475050
1,1,1-Trifluoro-3-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)propan-2-ol
CID 2738585
2-(3,4,4-Trifluoro-but-3-enylsulfanyl)-thiazolo[5,4-b]pyridine
CID 9921683
2-(3,4,4-Trifluoro-but-3-enylsulfonyl)-thiazolo[4,5-c]pyridine
CID 21956035
2-(3,4,4-Trifluoro-but-3-enylsulfinyl)-thiazolo[4,5-c]pyridine
CID 21956039
2-(Trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine
CID 67113588

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)acetate (CID 15035783) is ethyl 2,2-difluoro-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)acetate is CCOC(=O)C(F)(F)S(=O)c1nc2cccnc2s1.
What is the InChIKey of ethyl 2,2-difluoro-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)acetate?
The InChIKey is COPDJVDAAVNERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O3S2/c1-2-17-8(15)10(11,12)19(16)9-14-6-4-3-5-13-7(6)18-9/h3-5H,2H2,1H3.
What are the key properties of ethyl 2,2-difluoro-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)acetate?
ethyl 2,2-difluoro-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)acetate has a molecular weight of 306.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)acetate is sourced from PubChem (CID 15035783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).