7-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C18H27N3O2S — CID 45182843

IUPAC7-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nc(C(=O)N2CCC3(CCCN(CC(C)(C)C)C3=O)C2)cs1
InChIInChI=1S/C18H27N3O2S/c1-13-19-14(10-24-13)15(22)20-9-7-18(12-20)6-5-8-21(16(18)23)11-17(2,3)4/h10H,5-9,11-12H2,1-4H3
InChIKeyLJCYKTCEOVUIMH-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.95
Rot. Bonds2

About 7-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45182843) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 7-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45182843
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name7-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nc(C(=O)N2CCC3(CCCN(CC(C)(C)C)C3=O)C2)cs1
InChIInChI=1S/C18H27N3O2S/c1-13-19-14(10-24-13)15(22)20-9-7-18(12-20)6-5-8-21(16(18)23)11-17(2,3)4/h10H,5-9,11-12H2,1-4H3
InChIKeyLJCYKTCEOVUIMH-UHFFFAOYSA-N
XLogP2.95
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45182843) is 7-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is Cc1nc(C(=O)N2CCC3(CCCN(CC(C)(C)C)C3=O)C2)cs1.
What is the InChIKey of 7-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is LJCYKTCEOVUIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-13-19-14(10-24-13)15(22)20-9-7-18(12-20)6-5-8-21(16(18)23)11-17(2,3)4/h10H,5-9,11-12H2,1-4H3.
What are the key properties of 7-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 349.50 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45182843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).