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

C13H17NOS — CID 175254602

IUPAC5-methyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one
SMILESCC1SC(=O)N(C(C)C)C1c1ccccc1
InChIInChI=1S/C13H17NOS/c1-9(2)14-12(10(3)16-13(14)15)11-7-5-4-6-8-11/h4-10,12H,1-3H3
InChIKeyPGCQUSKAMDMKGH-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.69
Rot. Bonds2

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

5-methyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one (PubChem CID 175254602) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 5-methyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name5-methyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one
PubChem CID175254602
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name5-methyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one
SMILESCC1SC(=O)N(C(C)C)C1c1ccccc1
InChIInChI=1S/C13H17NOS/c1-9(2)14-12(10(3)16-13(14)15)11-7-5-4-6-8-11/h4-10,12H,1-3H3
InChIKeyPGCQUSKAMDMKGH-UHFFFAOYSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

1,5-dimethyl-4-phenyl-3-propan-2-ylimidazolidin-2-one
CID 20685332
(4R,4aS,5S,8aS)-5-methyl-4-phenyl-3,8-di(propan-2-yl)-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione
CID 6954678
4,5-dimethyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one
CID 69117828
(3-methoxycarbonyl-4-phenyl-1-propan-2-ylazetidin-2-ylidene)tungsten
CID 177462596
5-phenyl-1,3-di(propan-2-yl)imidazolidine-2,4-dione
CID 134305318
(3S,4R)-1-benzhydryl-3-methyl-4-phenylazetidin-2-one
CID 13045168
(4S,5S)-2-methyl-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2λ5-diazaphospholidine 2-oxide
CID 135033737
(3aR,6S,6aS)-2-ethyl-6-phenyl-5-propan-2-yl-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-1,3,4-trione
CID 23246690
(2S,3R)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxylic acid
CID 139598441
(2S,3R)-2-methyl-3-phenylthiirane
CID 134929070
2-tert-butylimino-6-phenyl-3,5-di(propan-2-yl)-1,3,5-thiadiazinan-4-one
CID 21314696
(3S,4R,5S)-5-methyl-4-nitro-3-phenyl-2-propan-2-yl-1,2-oxazolidine
CID 10037741

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one?
The IUPAC name of 5-methyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one (CID 175254602) is 5-methyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one.
What is the SMILES notation for 5-methyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one?
The canonical SMILES for 5-methyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one is CC1SC(=O)N(C(C)C)C1c1ccccc1.
What is the InChIKey of 5-methyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one?
The InChIKey is PGCQUSKAMDMKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-9(2)14-12(10(3)16-13(14)15)11-7-5-4-6-8-11/h4-10,12H,1-3H3.
What are the key properties of 5-methyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one?
5-methyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one has a molecular weight of 235.35 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one is sourced from PubChem (CID 175254602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).