2-(3,3-diethylazetidin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

C13H21N3S — CID 79678678

IUPAC2-(3,3-diethylazetidin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCCC1(CC)CN(c2nc3c(s2)CNCC3)C1
InChIInChI=1S/C13H21N3S/c1-3-13(4-2)8-16(9-13)12-15-10-5-6-14-7-11(10)17-12/h14H,3-9H2,1-2H3
InChIKeyUTNUHQVEKBETRR-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.42
Rot. Bonds3

About 2-(3,3-diethylazetidin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

2-(3,3-diethylazetidin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 79678678) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 2-(3,3-diethylazetidin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(3,3-diethylazetidin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID79678678
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name2-(3,3-diethylazetidin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCCC1(CC)CN(c2nc3c(s2)CNCC3)C1
InChIInChI=1S/C13H21N3S/c1-3-13(4-2)8-16(9-13)12-15-10-5-6-14-7-11(10)17-12/h14H,3-9H2,1-2H3
InChIKeyUTNUHQVEKBETRR-UHFFFAOYSA-N
XLogP2.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diethylazetidin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(3,3-diethylazetidin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 79678678) is 2-(3,3-diethylazetidin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(3,3-diethylazetidin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(3,3-diethylazetidin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is CCC1(CC)CN(c2nc3c(s2)CNCC3)C1.
What is the InChIKey of 2-(3,3-diethylazetidin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is UTNUHQVEKBETRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-3-13(4-2)8-16(9-13)12-15-10-5-6-14-7-11(10)17-12/h14H,3-9H2,1-2H3.
What are the key properties of 2-(3,3-diethylazetidin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-(3,3-diethylazetidin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 251.40 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diethylazetidin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 79678678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).