(2S,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-methyloxolan-3-ol

C14H17FN2O2S — CID 157354241

IUPAC(2S,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-methyloxolan-3-ol
SMILESCC[C@]1(C)O[C@@H](c2csc3c(N)ccnc23)[C@H](F)[C@@H]1O
InChIInChI=1S/C14H17FN2O2S/c1-3-14(2)13(18)9(15)11(19-14)7-6-20-12-8(16)4-5-17-10(7)12/h4-6,9,11,13,18H,3H2,1-2H3,(H2,16,17)/t9-,11-,13-,14-/m0/s1
InChIKeyBHWVBORSZJCLRA-RETIQXCHSA-N
MW296.37 g/mol
LogP2.82
Rot. Bonds2

About (2S,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-methyloxolan-3-ol

(2S,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-methyloxolan-3-ol (PubChem CID 157354241) has the molecular formula C14H17FN2O2S and a molecular weight of 296.37 g/mol. Its IUPAC name is (2S,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-methyloxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-methyloxolan-3-ol
PubChem CID157354241
Molecular FormulaC14H17FN2O2S
Molecular Weight296.37 g/mol
Exact Mass296.10
IUPAC Name(2S,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-methyloxolan-3-ol
SMILESCC[C@]1(C)O[C@@H](c2csc3c(N)ccnc23)[C@H](F)[C@@H]1O
InChIInChI=1S/C14H17FN2O2S/c1-3-14(2)13(18)9(15)11(19-14)7-6-20-12-8(16)4-5-17-10(7)12/h4-6,9,11,13,18H,3H2,1-2H3,(H2,16,17)/t9-,11-,13-,14-/m0/s1
InChIKeyBHWVBORSZJCLRA-RETIQXCHSA-N
XLogP2.82
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-methyloxolan-3-ol 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 (2S,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-methyloxolan-3-ol?
The IUPAC name of (2S,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-methyloxolan-3-ol (CID 157354241) is (2S,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-methyloxolan-3-ol.
What is the SMILES notation for (2S,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-methyloxolan-3-ol?
The canonical SMILES for (2S,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-methyloxolan-3-ol is CC[C@]1(C)O[C@@H](c2csc3c(N)ccnc23)[C@H](F)[C@@H]1O.
What is the InChIKey of (2S,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-methyloxolan-3-ol?
The InChIKey is BHWVBORSZJCLRA-RETIQXCHSA-N. The full InChI is InChI=1S/C14H17FN2O2S/c1-3-14(2)13(18)9(15)11(19-14)7-6-20-12-8(16)4-5-17-10(7)12/h4-6,9,11,13,18H,3H2,1-2H3,(H2,16,17)/t9-,11-,13-,14-/m0/s1.
What are the key properties of (2S,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-methyloxolan-3-ol?
(2S,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-methyloxolan-3-ol has a molecular weight of 296.37 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-5-(7-aminothieno[3,2-b]pyridin-3-yl)-2-ethyl-4-fluoro-2-methyloxolan-3-ol is sourced from PubChem (CID 157354241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).