5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-one

C11H13NOS — CID 130010020

IUPAC5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-one
SMILESCC1(C)SC(c2ccccc2)NC1=O
InChIInChI=1S/C11H13NOS/c1-11(2)10(13)12-9(14-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,12,13)
InChIKeyGBSYGXKPBHKQEU-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.33
Rot. Bonds1

About 5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-one

5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 130010020) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-one
PubChem CID130010020
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-one
SMILESCC1(C)SC(c2ccccc2)NC1=O
InChIInChI=1S/C11H13NOS/c1-11(2)10(13)12-9(14-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,12,13)
InChIKeyGBSYGXKPBHKQEU-UHFFFAOYSA-N
XLogP2.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-3,3-dimethyl-4-phenylazetidin-2-one
CID 7034516
4,5,5-trimethyl-2-phenyl-1,3-thiazolidine
CID 123280342
(2S,3R,4R,5S)-2,5-dibromo-2,5-dimethyl-3,4-diphenylcyclopentan-1-one
CID 132530978
(3R,4S)-3-methyl-4-phenylpyrrolidine-2,5-dione
CID 917022
(2R)-2-phenyl-2,3-dihydro-1,3-benzothiazole
CID 92935373
(3S,4R)-5,5-dimethyl-2,6-dioxo-4-phenylpiperidine-3-carbonitrile
CID 7347371
6-phenyl-4,7-diazaspiro[2.5]octane-5,8-dione
CID 121207256
(2S,4S)-4-di(propan-2-yloxy)phosphoryl-5,5-dimethyl-2-phenyl-1,3-thiazolidine
CID 102022357
(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083
3,3-dimethyl-5-phenyl-1H-indol-2-one
CID 79018952
2-phenyl-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one
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(6S)-5,5-dimethyl-6-phenylpiperidin-2-one
CID 138970238

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-one (CID 130010020) is 5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-one is CC1(C)SC(c2ccccc2)NC1=O.
What is the InChIKey of 5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is GBSYGXKPBHKQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-11(2)10(13)12-9(14-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,12,13).
What are the key properties of 5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-one?
5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 207.30 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 130010020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).