4-[1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine

C26H43N3OS — CID 174667689

IUPAC4-[1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine
SMILESCC1(C)CCC(C)(C)C2CC(c3csc(N4CCC(N5CCOCC5)CC4)n3)CCC21
InChIInChI=1S/C26H43N3OS/c1-25(2)9-10-26(3,4)22-17-19(5-6-21(22)25)23-18-31-24(27-23)29-11-7-20(8-12-29)28-13-15-30-16-14-28/h18-22H,5-17H2,1-4H3
InChIKeyIIYZNUVDCMIRNS-UHFFFAOYSA-N
MW445.72 g/mol
LogP5.79
Rot. Bonds3

About 4-[1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine

4-[1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine (PubChem CID 174667689) has the molecular formula C26H43N3OS and a molecular weight of 445.72 g/mol. Its IUPAC name is 4-[1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine
PubChem CID174667689
Molecular FormulaC26H43N3OS
Molecular Weight445.72 g/mol
Exact Mass445.31
IUPAC Name4-[1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine
SMILESCC1(C)CCC(C)(C)C2CC(c3csc(N4CCC(N5CCOCC5)CC4)n3)CCC21
InChIInChI=1S/C26H43N3OS/c1-25(2)9-10-26(3,4)22-17-19(5-6-21(22)25)23-18-31-24(27-23)29-11-7-20(8-12-29)28-13-15-30-16-14-28/h18-22H,5-17H2,1-4H3
InChIKeyIIYZNUVDCMIRNS-UHFFFAOYSA-N
XLogP5.79
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.72
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine (CID 174667689) is 4-[1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine is CC1(C)CCC(C)(C)C2CC(c3csc(N4CCC(N5CCOCC5)CC4)n3)CCC21.
What is the InChIKey of 4-[1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine?
The InChIKey is IIYZNUVDCMIRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N3OS/c1-25(2)9-10-26(3,4)22-17-19(5-6-21(22)25)23-18-31-24(27-23)29-11-7-20(8-12-29)28-13-15-30-16-14-28/h18-22H,5-17H2,1-4H3.
What are the key properties of 4-[1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine?
4-[1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine has a molecular weight of 445.72 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholine is sourced from PubChem (CID 174667689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).