(5R)-7-(oxan-4-yl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one

C18H28N4O2S — CID 97117710

IUPAC(5R)-7-(oxan-4-yl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)c1nnc(N2CC[C@]3(CCCN(C4CCOCC4)C3=O)C2)s1
InChIInChI=1S/C18H28N4O2S/c1-13(2)15-19-20-17(25-15)21-9-7-18(12-21)6-3-8-22(16(18)23)14-4-10-24-11-5-14/h13-14H,3-12H2,1-2H3/t18-/m1/s1
InChIKeyDILXAMLRVUEOGI-GOSISDBHSA-N
MW364.52 g/mol
LogP2.66
Rot. Bonds3

About (5R)-7-(oxan-4-yl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-(oxan-4-yl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97117710) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is (5R)-7-(oxan-4-yl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-(oxan-4-yl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97117710
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC Name(5R)-7-(oxan-4-yl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)c1nnc(N2CC[C@]3(CCCN(C4CCOCC4)C3=O)C2)s1
InChIInChI=1S/C18H28N4O2S/c1-13(2)15-19-20-17(25-15)21-9-7-18(12-21)6-3-8-22(16(18)23)14-4-10-24-11-5-14/h13-14H,3-12H2,1-2H3/t18-/m1/s1
InChIKeyDILXAMLRVUEOGI-GOSISDBHSA-N
XLogP2.66
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-7-(oxan-4-yl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-(oxan-4-yl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 97117710) is (5R)-7-(oxan-4-yl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-(oxan-4-yl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-(oxan-4-yl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one is CC(C)c1nnc(N2CC[C@]3(CCCN(C4CCOCC4)C3=O)C2)s1.
What is the InChIKey of (5R)-7-(oxan-4-yl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is DILXAMLRVUEOGI-GOSISDBHSA-N. The full InChI is InChI=1S/C18H28N4O2S/c1-13(2)15-19-20-17(25-15)21-9-7-18(12-21)6-3-8-22(16(18)23)14-4-10-24-11-5-14/h13-14H,3-12H2,1-2H3/t18-/m1/s1.
What are the key properties of (5R)-7-(oxan-4-yl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-(oxan-4-yl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 364.52 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(oxan-4-yl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97117710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).