4,5,5-trimethyl-2-phenyl-1,3-thiazolidine

C12H17NS — CID 123280342

IUPAC4,5,5-trimethyl-2-phenyl-1,3-thiazolidine
SMILESCC1NC(c2ccccc2)SC1(C)C
InChIInChI=1S/C12H17NS/c1-9-12(2,3)14-11(13-9)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3
InChIKeyUHHLASQGONDSKZ-UHFFFAOYSA-N
MW207.34 g/mol
LogP3.19
Rot. Bonds1

About 4,5,5-trimethyl-2-phenyl-1,3-thiazolidine

4,5,5-trimethyl-2-phenyl-1,3-thiazolidine (PubChem CID 123280342) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 4,5,5-trimethyl-2-phenyl-1,3-thiazolidine.

Molecular Properties

Compound Name4,5,5-trimethyl-2-phenyl-1,3-thiazolidine
PubChem CID123280342
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name4,5,5-trimethyl-2-phenyl-1,3-thiazolidine
SMILESCC1NC(c2ccccc2)SC1(C)C
InChIInChI=1S/C12H17NS/c1-9-12(2,3)14-11(13-9)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3
InChIKeyUHHLASQGONDSKZ-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-4-di(propan-2-yloxy)phosphoryl-5,5-dimethyl-2-phenyl-1,3-thiazolidine
CID 102022357
5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-one
CID 130010020
(4S)-5,5-dimethyl-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 11837459
5,5-dimethyl-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2802161
(4S)-2-[4-(1,3-dihydroisoindol-2-yl)phenyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 164880503
(4S)-5,5-dimethyl-2-[4-(methylamino)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 164880456
(2R,4S)-2-(2-hydroxyphenyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 23241428
5-tert-butyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole
CID 23262634
(4S)-5,5-dimethyl-4-phenyl-4,6-dihydro-1H-pyrimidine
CID 162350993
(2,2,4-trimethyl-3-phenylcyclobutyl)benzene
CID 175871600
5-methyl-2-phenyl-2,5-dihydro-1H-imidazole
CID 58401069
(2-chloro-2,3-dimethylcyclopropyl)benzene
CID 589290

Frequently Asked Questions

What is the IUPAC name of 4,5,5-trimethyl-2-phenyl-1,3-thiazolidine?
The IUPAC name of 4,5,5-trimethyl-2-phenyl-1,3-thiazolidine (CID 123280342) is 4,5,5-trimethyl-2-phenyl-1,3-thiazolidine.
What is the SMILES notation for 4,5,5-trimethyl-2-phenyl-1,3-thiazolidine?
The canonical SMILES for 4,5,5-trimethyl-2-phenyl-1,3-thiazolidine is CC1NC(c2ccccc2)SC1(C)C.
What is the InChIKey of 4,5,5-trimethyl-2-phenyl-1,3-thiazolidine?
The InChIKey is UHHLASQGONDSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-9-12(2,3)14-11(13-9)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3.
What are the key properties of 4,5,5-trimethyl-2-phenyl-1,3-thiazolidine?
4,5,5-trimethyl-2-phenyl-1,3-thiazolidine has a molecular weight of 207.34 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-trimethyl-2-phenyl-1,3-thiazolidine is sourced from PubChem (CID 123280342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).