3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-phenyl-1,3-thiazolidin-4-one

C16H24N2OS — CID 23822954

IUPAC3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-phenyl-1,3-thiazolidin-4-one
SMILESCN(C)CC(C)(C)CN1C(=O)CSC1c1ccccc1
InChIInChI=1S/C16H24N2OS/c1-16(2,11-17(3)4)12-18-14(19)10-20-15(18)13-8-6-5-7-9-13/h5-9,15H,10-12H2,1-4H3
InChIKeyRMPYBILDONVOJV-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.85
Rot. Bonds5

About 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-phenyl-1,3-thiazolidin-4-one

3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 23822954) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-phenyl-1,3-thiazolidin-4-one
PubChem CID23822954
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-phenyl-1,3-thiazolidin-4-one
SMILESCN(C)CC(C)(C)CN1C(=O)CSC1c1ccccc1
InChIInChI=1S/C16H24N2OS/c1-16(2,11-17(3)4)12-18-14(19)10-20-15(18)13-8-6-5-7-9-13/h5-9,15H,10-12H2,1-4H3
InChIKeyRMPYBILDONVOJV-UHFFFAOYSA-N
XLogP2.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-phenyl-1,3-thiazolidin-4-one (CID 23822954) is 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-phenyl-1,3-thiazolidin-4-one is CN(C)CC(C)(C)CN1C(=O)CSC1c1ccccc1.
What is the InChIKey of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is RMPYBILDONVOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-16(2,11-17(3)4)12-18-14(19)10-20-15(18)13-8-6-5-7-9-13/h5-9,15H,10-12H2,1-4H3.
What are the key properties of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-phenyl-1,3-thiazolidin-4-one?
3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 292.45 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 23822954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).