8-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one

C15H21N3O2S — CID 50969534

IUPAC8-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1nc(C)c(CC(=O)N2CCC3(CC2)CNC(=O)C3)s1
InChIInChI=1S/C15H21N3O2S/c1-10-12(21-11(2)17-10)7-14(20)18-5-3-15(4-6-18)8-13(19)16-9-15/h3-9H2,1-2H3,(H,16,19)
InChIKeyPGHVXVDGONKRNH-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.43
Rot. Bonds2

About 8-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one

8-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 50969534) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 8-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID50969534
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name8-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1nc(C)c(CC(=O)N2CCC3(CC2)CNC(=O)C3)s1
InChIInChI=1S/C15H21N3O2S/c1-10-12(21-11(2)17-10)7-14(20)18-5-3-15(4-6-18)8-13(19)16-9-15/h3-9H2,1-2H3,(H,16,19)
InChIKeyPGHVXVDGONKRNH-UHFFFAOYSA-N
XLogP1.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one (CID 50969534) is 8-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one is Cc1nc(C)c(CC(=O)N2CCC3(CC2)CNC(=O)C3)s1.
What is the InChIKey of 8-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is PGHVXVDGONKRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-10-12(21-11(2)17-10)7-14(20)18-5-3-15(4-6-18)8-13(19)16-9-15/h3-9H2,1-2H3,(H,16,19).
What are the key properties of 8-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one?
8-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 307.42 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 50969534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).