2-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C18H27N3O2S — CID 72907361

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1csc(CN2CCC3(CCCN(C4CCOCC4)C3=O)C2)n1
InChIInChI=1S/C18H27N3O2S/c1-14-12-24-16(19-14)11-20-8-6-18(13-20)5-2-7-21(17(18)22)15-3-9-23-10-4-15/h12,15H,2-11,13H2,1H3
InChIKeyXTISPWTUTRHOKJ-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.45
Rot. Bonds3

About 2-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

2-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72907361) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72907361
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1csc(CN2CCC3(CCCN(C4CCOCC4)C3=O)C2)n1
InChIInChI=1S/C18H27N3O2S/c1-14-12-24-16(19-14)11-20-8-6-18(13-20)5-2-7-21(17(18)22)15-3-9-23-10-4-15/h12,15H,2-11,13H2,1H3
InChIKeyXTISPWTUTRHOKJ-UHFFFAOYSA-N
XLogP2.45
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 72907361) is 2-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is Cc1csc(CN2CCC3(CCCN(C4CCOCC4)C3=O)C2)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is XTISPWTUTRHOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-14-12-24-16(19-14)11-20-8-6-18(13-20)5-2-7-21(17(18)22)15-3-9-23-10-4-15/h12,15H,2-11,13H2,1H3.
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
2-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 349.50 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72907361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).