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

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Related Compounds

4-chloro-2-phenyl-3-(trifluoromethyl)-1,3-thiazolidine
CID 174269759
(2R,4R)-3-tert-butyl-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 141184962
(2S,4R)-2-tert-butyl-1-methyl-4-phenylpyrrolidine
CID 131847537
(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 759136
3-formyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 85431501
(7aR)-3,6-diphenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 59885924
2-tert-butyl-1-ethyl-5-phenylpyrrolidine
CID 70876764
2-tert-butyl-3-phenyl-2-azabicyclo[2.2.1]heptane
CID 157105179
[(1S)-2-tert-butylcyclopropyl]benzene
CID 59541250
2,3-ditert-butyl-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrole
CID 58963061
(7aR)-3-phenyl-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 67924883
2-(2-phenyl-1,3-thiazolidin-3-yl)ethanamine
CID 71179455

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).