3-benzyl-2-methyl-8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one

C20H23N3O2S — CID 110138708

IUPAC3-benzyl-2-methyl-8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1C(=O)C2(CCN(C(=O)c3cncs3)CC2)CC1Cc1ccccc1
InChIInChI=1S/C20H23N3O2S/c1-22-16(11-15-5-3-2-4-6-15)12-20(19(22)25)7-9-23(10-8-20)18(24)17-13-21-14-26-17/h2-6,13-14,16H,7-12H2,1H3
InChIKeySQXXQRLMVMKFKT-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.84
Rot. Bonds3

About 3-benzyl-2-methyl-8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one

3-benzyl-2-methyl-8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 110138708) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-benzyl-2-methyl-8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-benzyl-2-methyl-8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID110138708
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name3-benzyl-2-methyl-8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1C(=O)C2(CCN(C(=O)c3cncs3)CC2)CC1Cc1ccccc1
InChIInChI=1S/C20H23N3O2S/c1-22-16(11-15-5-3-2-4-6-15)12-20(19(22)25)7-9-23(10-8-20)18(24)17-13-21-14-26-17/h2-6,13-14,16H,7-12H2,1H3
InChIKeySQXXQRLMVMKFKT-UHFFFAOYSA-N
XLogP2.84
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-methyl-8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 3-benzyl-2-methyl-8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one (CID 110138708) is 3-benzyl-2-methyl-8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-benzyl-2-methyl-8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 3-benzyl-2-methyl-8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one is CN1C(=O)C2(CCN(C(=O)c3cncs3)CC2)CC1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-methyl-8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is SQXXQRLMVMKFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-22-16(11-15-5-3-2-4-6-15)12-20(19(22)25)7-9-23(10-8-20)18(24)17-13-21-14-26-17/h2-6,13-14,16H,7-12H2,1H3.
What are the key properties of 3-benzyl-2-methyl-8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
3-benzyl-2-methyl-8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 369.49 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-methyl-8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 110138708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).