2-(thiomorpholin-3-ylmethyl)-[1,3]thiazolo[4,5-c]pyridine

C11H13N3S2 — CID 66443080

IUPAC2-(thiomorpholin-3-ylmethyl)-[1,3]thiazolo[4,5-c]pyridine
SMILESc1cc2sc(CC3CSCCN3)nc2cn1
InChIInChI=1S/C11H13N3S2/c1-2-12-6-9-10(1)16-11(14-9)5-8-7-15-4-3-13-8/h1-2,6,8,13H,3-5,7H2
InChIKeyHBAKXJLILCJPIV-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.94
Rot. Bonds2

About 2-(thiomorpholin-3-ylmethyl)-[1,3]thiazolo[4,5-c]pyridine

2-(thiomorpholin-3-ylmethyl)-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 66443080) has the molecular formula C11H13N3S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is 2-(thiomorpholin-3-ylmethyl)-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(thiomorpholin-3-ylmethyl)-[1,3]thiazolo[4,5-c]pyridine
PubChem CID66443080
Molecular FormulaC11H13N3S2
Molecular Weight251.38 g/mol
Exact Mass251.06
IUPAC Name2-(thiomorpholin-3-ylmethyl)-[1,3]thiazolo[4,5-c]pyridine
SMILESc1cc2sc(CC3CSCCN3)nc2cn1
InChIInChI=1S/C11H13N3S2/c1-2-12-6-9-10(1)16-11(14-9)5-8-7-15-4-3-13-8/h1-2,6,8,13H,3-5,7H2
InChIKeyHBAKXJLILCJPIV-UHFFFAOYSA-N
XLogP1.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(thiomorpholin-3-ylmethyl)-[1,3]thiazolo[4,5-c]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-fluoro-2-(thiomorpholin-3-ylmethyl)-1,3-benzothiazole
CID 66445630
3-[(1-propylimidazo[4,5-c]pyridin-2-yl)methyl]thiomorpholine
CID 66444646
3-(4-methyl-3-pyridinyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 114877020
2-(pyrrolidin-2-ylmethyl)-1,3-benzothiazole
CID 61370741
3-pyridin-3-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 119947955
(3S)-3-pyridin-3-ylthiomorpholine
CID 26369463
3-[(4-ethylphenyl)methyl]thiomorpholine
CID 82286776
3-pyridin-3-ylthiomorpholine
CID 3873279
N-methyl-N-(pyridin-4-ylmethyl)-1-thiomorpholin-3-ylmethanamine
CID 82916479
N-methyl-N-(pyridin-3-ylmethyl)-1-thiomorpholin-3-ylmethanamine
CID 82916326
3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine
CID 66443673
3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine
CID 66445041

Frequently Asked Questions

What is the IUPAC name of 2-(thiomorpholin-3-ylmethyl)-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 2-(thiomorpholin-3-ylmethyl)-[1,3]thiazolo[4,5-c]pyridine (CID 66443080) is 2-(thiomorpholin-3-ylmethyl)-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 2-(thiomorpholin-3-ylmethyl)-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 2-(thiomorpholin-3-ylmethyl)-[1,3]thiazolo[4,5-c]pyridine is c1cc2sc(CC3CSCCN3)nc2cn1.
What is the InChIKey of 2-(thiomorpholin-3-ylmethyl)-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is HBAKXJLILCJPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S2/c1-2-12-6-9-10(1)16-11(14-9)5-8-7-15-4-3-13-8/h1-2,6,8,13H,3-5,7H2.
What are the key properties of 2-(thiomorpholin-3-ylmethyl)-[1,3]thiazolo[4,5-c]pyridine?
2-(thiomorpholin-3-ylmethyl)-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 251.38 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiomorpholin-3-ylmethyl)-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 66443080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).