5-methyl-3-phenylmethoxy-2-propan-2-yl-1,3-thiazolidin-4-one

C14H19NO2S — CID 141490846

IUPAC5-methyl-3-phenylmethoxy-2-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC1SC(C(C)C)N(OCc2ccccc2)C1=O
InChIInChI=1S/C14H19NO2S/c1-10(2)14-15(13(16)11(3)18-14)17-9-12-7-5-4-6-8-12/h4-8,10-11,14H,9H2,1-3H3
InChIKeyUDCMKRYSJDRBEX-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.06
Rot. Bonds4

About 5-methyl-3-phenylmethoxy-2-propan-2-yl-1,3-thiazolidin-4-one

5-methyl-3-phenylmethoxy-2-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 141490846) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 5-methyl-3-phenylmethoxy-2-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-methyl-3-phenylmethoxy-2-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID141490846
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name5-methyl-3-phenylmethoxy-2-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC1SC(C(C)C)N(OCc2ccccc2)C1=O
InChIInChI=1S/C14H19NO2S/c1-10(2)14-15(13(16)11(3)18-14)17-9-12-7-5-4-6-8-12/h4-8,10-11,14H,9H2,1-3H3
InChIKeyUDCMKRYSJDRBEX-UHFFFAOYSA-N
XLogP3.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-3,4-dimethyl-1-phenylmethoxyazetidin-2-one
CID 10104396
(4R,5S)-5-methyl-4-(2-methylpropyl)-3-phenylmethoxy-1,3-oxazolidin-2-one
CID 131848700
5-methyl-3-phenylmethoxy-1,3-thiazolidine-2,4-dione
CID 14198894
(4R)-4-methyl-1-phenylmethoxyazetidin-2-one
CID 16752815
(2S)-2-[(4R)-4-methyl-2-oxo-3-phenylmethoxyimidazolidin-1-yl]propanoic acid
CID 89169658
(4R)-1-butyl-4-methyl-3-phenylmethoxyimidazolidin-2-one
CID 134374848
5-bromo-1-phenylmethoxypyrrolidin-2-one
CID 22495511
4-(2-methylhexyl)-1-phenylmethoxyazetidin-2-one
CID 69338065
propan-2-yl (2S)-4-oxo-1-phenylmethoxyazetidine-2-carboxylate
CID 14988500
3-hydrazinyl-4-methyl-1-phenylmethoxypyrrolidin-2-one
CID 23052513
5-(hydroxymethyl)-1-phenylmethoxypyrrolidin-2-one
CID 22592553
(3R,4R)-3-amino-4-ethyl-1-phenylmethoxypyrrolidin-2-one
CID 131201426

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenylmethoxy-2-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 5-methyl-3-phenylmethoxy-2-propan-2-yl-1,3-thiazolidin-4-one (CID 141490846) is 5-methyl-3-phenylmethoxy-2-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-methyl-3-phenylmethoxy-2-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 5-methyl-3-phenylmethoxy-2-propan-2-yl-1,3-thiazolidin-4-one is CC1SC(C(C)C)N(OCc2ccccc2)C1=O.
What is the InChIKey of 5-methyl-3-phenylmethoxy-2-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is UDCMKRYSJDRBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-10(2)14-15(13(16)11(3)18-14)17-9-12-7-5-4-6-8-12/h4-8,10-11,14H,9H2,1-3H3.
What are the key properties of 5-methyl-3-phenylmethoxy-2-propan-2-yl-1,3-thiazolidin-4-one?
5-methyl-3-phenylmethoxy-2-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 265.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenylmethoxy-2-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 141490846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).