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

C15H23N3OS — CID 3864814

IUPAC3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one
SMILESCN(C)CC(C)(C)CN1C(=O)CSC1c1ccccn1
InChIInChI=1S/C15H23N3OS/c1-15(2,10-17(3)4)11-18-13(19)9-20-14(18)12-7-5-6-8-16-12/h5-8,14H,9-11H2,1-4H3
InChIKeyCFZFOYIZXVDORS-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.24
Rot. Bonds5

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

3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one (PubChem CID 3864814) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one
PubChem CID3864814
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one
SMILESCN(C)CC(C)(C)CN1C(=O)CSC1c1ccccn1
InChIInChI=1S/C15H23N3OS/c1-15(2,10-17(3)4)11-18-13(19)9-20-14(18)12-7-5-6-8-16-12/h5-8,14H,9-11H2,1-4H3
InChIKeyCFZFOYIZXVDORS-UHFFFAOYSA-N
XLogP2.24
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one (CID 3864814) is 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one is CN(C)CC(C)(C)CN1C(=O)CSC1c1ccccn1.
What is the InChIKey of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one?
The InChIKey is CFZFOYIZXVDORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-15(2,10-17(3)4)11-18-13(19)9-20-14(18)12-7-5-6-8-16-12/h5-8,14H,9-11H2,1-4H3.
What are the key properties of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one?
3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one has a molecular weight of 293.44 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3864814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).