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

C12H14N2O3S2 — CID 15035781

IUPACethyl 2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)propanoate
SMILESCCOC(=O)C(C)(C)S(=O)c1nc2cccnc2s1
InChIInChI=1S/C12H14N2O3S2/c1-4-17-10(15)12(2,3)19(16)11-14-8-6-5-7-13-9(8)18-11/h5-7H,4H2,1-3H3
InChIKeyVLUJTFQDEVWLAT-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.14
Rot. Bonds4

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

ethyl 2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)propanoate (PubChem CID 15035781) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is ethyl 2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)propanoate
PubChem CID15035781
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC Nameethyl 2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)propanoate
SMILESCCOC(=O)C(C)(C)S(=O)c1nc2cccnc2s1
InChIInChI=1S/C12H14N2O3S2/c1-4-17-10(15)12(2,3)19(16)11-14-8-6-5-7-13-9(8)18-11/h5-7H,4H2,1-3H3
InChIKeyVLUJTFQDEVWLAT-UHFFFAOYSA-N
XLogP2.14
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-ethyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)butanoate
CID 79471397
2-methylsulfinyl-[1,3]thiazolo[5,4-b]pyridine
CID 15035747
ethyl 2-(benzenesulfinyl)-2-methylpropanoate
CID 14906951
tert-butyl 2-cyano-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetate
CID 122163837
ethyl N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate
CID 121024653
2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propan-1-amine
CID 115428036
ethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464930
ethyl 2-methyl-2-(3-propylimidazo[4,5-b]pyridin-2-yl)propanoate
CID 79471291
ethyl 2-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepane-1-carbonyl]amino]propanoate
CID 53010851
(1S)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethanamine
CID 82409431
diethyl 2-methyl-2-pyridin-3-ylpropanedioate
CID 57301531
4-[2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)ethyl]morpholine
CID 15035768

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)propanoate?
The IUPAC name of ethyl 2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)propanoate (CID 15035781) is ethyl 2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)propanoate.
What is the SMILES notation for ethyl 2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)propanoate?
The canonical SMILES for ethyl 2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)propanoate is CCOC(=O)C(C)(C)S(=O)c1nc2cccnc2s1.
What is the InChIKey of ethyl 2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)propanoate?
The InChIKey is VLUJTFQDEVWLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-4-17-10(15)12(2,3)19(16)11-14-8-6-5-7-13-9(8)18-11/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)propanoate?
ethyl 2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)propanoate has a molecular weight of 298.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)propanoate is sourced from PubChem (CID 15035781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).