2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine-4-thione

C10H13N3OS2 — CID 87301721

IUPAC2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine-4-thione
SMILESS=C1NCCc2nc(N3CCOCC3)sc21
InChIInChI=1S/C10H13N3OS2/c15-9-8-7(1-2-11-9)12-10(16-8)13-3-5-14-6-4-13/h1-6H2,(H,11,15)
InChIKeyWLELKTCJIMCYKE-UHFFFAOYSA-N
MW255.37 g/mol
LogP0.80
Rot. Bonds1

About 2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine-4-thione

2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine-4-thione (PubChem CID 87301721) has the molecular formula C10H13N3OS2 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine-4-thione.

Molecular Properties

Compound Name2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine-4-thione
PubChem CID87301721
Molecular FormulaC10H13N3OS2
Molecular Weight255.37 g/mol
Exact Mass255.05
IUPAC Name2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine-4-thione
SMILESS=C1NCCc2nc(N3CCOCC3)sc21
InChIInChI=1S/C10H13N3OS2/c15-9-8-7(1-2-11-9)12-10(16-8)13-3-5-14-6-4-13/h1-6H2,(H,11,15)
InChIKeyWLELKTCJIMCYKE-UHFFFAOYSA-N
XLogP0.80
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine-4-thione?
The IUPAC name of 2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine-4-thione (CID 87301721) is 2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine-4-thione.
What is the SMILES notation for 2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine-4-thione?
The canonical SMILES for 2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine-4-thione is S=C1NCCc2nc(N3CCOCC3)sc21.
What is the InChIKey of 2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine-4-thione?
The InChIKey is WLELKTCJIMCYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS2/c15-9-8-7(1-2-11-9)12-10(16-8)13-3-5-14-6-4-13/h1-6H2,(H,11,15).
What are the key properties of 2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine-4-thione?
2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine-4-thione has a molecular weight of 255.37 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine-4-thione is sourced from PubChem (CID 87301721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).