3,4-ditert-butyl-2-phenyl-1,3-thiazolidine

C17H27NS — CID 70865831

IUPAC3,4-ditert-butyl-2-phenyl-1,3-thiazolidine
SMILESCC(C)(C)C1CSC(c2ccccc2)N1C(C)(C)C
InChIInChI=1S/C17H27NS/c1-16(2,3)14-12-19-15(18(14)17(4,5)6)13-10-8-7-9-11-13/h7-11,14-15H,12H2,1-6H3
InChIKeyKEWFKFXBLHWIND-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.95
Rot. Bonds1

About 3,4-ditert-butyl-2-phenyl-1,3-thiazolidine

3,4-ditert-butyl-2-phenyl-1,3-thiazolidine (PubChem CID 70865831) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is 3,4-ditert-butyl-2-phenyl-1,3-thiazolidine.

Molecular Properties

Compound Name3,4-ditert-butyl-2-phenyl-1,3-thiazolidine
PubChem CID70865831
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name3,4-ditert-butyl-2-phenyl-1,3-thiazolidine
SMILESCC(C)(C)C1CSC(c2ccccc2)N1C(C)(C)C
InChIInChI=1S/C17H27NS/c1-16(2,3)14-12-19-15(18(14)17(4,5)6)13-10-8-7-9-11-13/h7-11,14-15H,12H2,1-6H3
InChIKeyKEWFKFXBLHWIND-UHFFFAOYSA-N
XLogP4.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4-ditert-butyl-2-phenyl-1,3-thiazolidine 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 3,4-ditert-butyl-2-phenyl-1,3-thiazolidine?
The IUPAC name of 3,4-ditert-butyl-2-phenyl-1,3-thiazolidine (CID 70865831) is 3,4-ditert-butyl-2-phenyl-1,3-thiazolidine.
What is the SMILES notation for 3,4-ditert-butyl-2-phenyl-1,3-thiazolidine?
The canonical SMILES for 3,4-ditert-butyl-2-phenyl-1,3-thiazolidine is CC(C)(C)C1CSC(c2ccccc2)N1C(C)(C)C.
What is the InChIKey of 3,4-ditert-butyl-2-phenyl-1,3-thiazolidine?
The InChIKey is KEWFKFXBLHWIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-16(2,3)14-12-19-15(18(14)17(4,5)6)13-10-8-7-9-11-13/h7-11,14-15H,12H2,1-6H3.
What are the key properties of 3,4-ditert-butyl-2-phenyl-1,3-thiazolidine?
3,4-ditert-butyl-2-phenyl-1,3-thiazolidine has a molecular weight of 277.48 g/mol, XLogP of 4.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-2-phenyl-1,3-thiazolidine is sourced from PubChem (CID 70865831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).