2-(2-azaspiro[3.6]decan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

C15H23N3S — CID 79677736

IUPAC2-(2-azaspiro[3.6]decan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESC1CCCC2(CC1)CN(c1nc3c(s1)CNCC3)C2
InChIInChI=1S/C15H23N3S/c1-2-4-7-15(6-3-1)10-18(11-15)14-17-12-5-8-16-9-13(12)19-14/h16H,1-11H2
InChIKeySPPOKFKDJSNUCX-UHFFFAOYSA-N
MW277.44 g/mol
LogP2.95
Rot. Bonds1

About 2-(2-azaspiro[3.6]decan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

2-(2-azaspiro[3.6]decan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 79677736) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 2-(2-azaspiro[3.6]decan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(2-azaspiro[3.6]decan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID79677736
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name2-(2-azaspiro[3.6]decan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESC1CCCC2(CC1)CN(c1nc3c(s1)CNCC3)C2
InChIInChI=1S/C15H23N3S/c1-2-4-7-15(6-3-1)10-18(11-15)14-17-12-5-8-16-9-13(12)19-14/h16H,1-11H2
InChIKeySPPOKFKDJSNUCX-UHFFFAOYSA-N
XLogP2.95
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azaspiro[3.6]decan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(2-azaspiro[3.6]decan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 79677736) is 2-(2-azaspiro[3.6]decan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(2-azaspiro[3.6]decan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(2-azaspiro[3.6]decan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is C1CCCC2(CC1)CN(c1nc3c(s1)CNCC3)C2.
What is the InChIKey of 2-(2-azaspiro[3.6]decan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is SPPOKFKDJSNUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-2-4-7-15(6-3-1)10-18(11-15)14-17-12-5-8-16-9-13(12)19-14/h16H,1-11H2.
What are the key properties of 2-(2-azaspiro[3.6]decan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-(2-azaspiro[3.6]decan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 277.44 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[3.6]decan-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 79677736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).