2-thiomorpholin-3-yl-[1,3]oxazolo[4,5-b]pyridine

C10H11N3OS — CID 83871240

IUPAC2-thiomorpholin-3-yl-[1,3]oxazolo[4,5-b]pyridine
SMILESc1cnc2nc(C3CSCCN3)oc2c1
InChIInChI=1S/C10H11N3OS/c1-2-8-9(12-3-1)13-10(14-8)7-6-15-5-4-11-7/h1-3,7,11H,4-6H2
InChIKeyJWQLNYMEBFJEGE-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.60
Rot. Bonds1

About 2-thiomorpholin-3-yl-[1,3]oxazolo[4,5-b]pyridine

2-thiomorpholin-3-yl-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 83871240) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-thiomorpholin-3-yl-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-thiomorpholin-3-yl-[1,3]oxazolo[4,5-b]pyridine
PubChem CID83871240
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name2-thiomorpholin-3-yl-[1,3]oxazolo[4,5-b]pyridine
SMILESc1cnc2nc(C3CSCCN3)oc2c1
InChIInChI=1S/C10H11N3OS/c1-2-8-9(12-3-1)13-10(14-8)7-6-15-5-4-11-7/h1-3,7,11H,4-6H2
InChIKeyJWQLNYMEBFJEGE-UHFFFAOYSA-N
XLogP1.60
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-thiomorpholin-3-yl-[1,3]oxazolo[4,5-b]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

5-ethyl-2-thiomorpholin-3-yl-1,3-benzoxazole
CID 82905095
7-chloro-2-thiomorpholin-3-yl-1,3-benzoxazole
CID 82905260
(3S)-3-pyridin-3-ylthiomorpholine
CID 26369463
3-pyridin-3-ylthiomorpholine
CID 3873279
4-ethyl-5-methyl-2-thiomorpholin-3-yl-1,3-oxazole
CID 105466255
3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)thiomorpholine
CID 82904097
3-(1-benzofuran-2-yl)-1,4-thiazepane
CID 66216793
2-methyl-5-thiomorpholin-3-yl-1,3-oxazole
CID 105441296
3-quinolin-2-yl-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82903542
3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)phenol
CID 82624502
3-(1,2-dihydropyridin-6-yl)thiomorpholine
CID 173113888
3-(2,3-dihydro-1H-inden-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82902403

Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-3-yl-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-thiomorpholin-3-yl-[1,3]oxazolo[4,5-b]pyridine (CID 83871240) is 2-thiomorpholin-3-yl-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-thiomorpholin-3-yl-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-thiomorpholin-3-yl-[1,3]oxazolo[4,5-b]pyridine is c1cnc2nc(C3CSCCN3)oc2c1.
What is the InChIKey of 2-thiomorpholin-3-yl-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is JWQLNYMEBFJEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-2-8-9(12-3-1)13-10(14-8)7-6-15-5-4-11-7/h1-3,7,11H,4-6H2.
What are the key properties of 2-thiomorpholin-3-yl-[1,3]oxazolo[4,5-b]pyridine?
2-thiomorpholin-3-yl-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 221.28 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-3-yl-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 83871240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).