(5S)-3-benzyl-5-propan-2-yl-1,3-thiazolidin-2-one

C13H17NOS — CID 131860745

IUPAC(5S)-3-benzyl-5-propan-2-yl-1,3-thiazolidin-2-one
SMILESCC(C)[C@H]1CN(Cc2ccccc2)C(=O)S1
InChIInChI=1S/C13H17NOS/c1-10(2)12-9-14(13(15)16-12)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m1/s1
InChIKeyLOBRDEXKZRCNMO-GFCCVEGCSA-N
MW235.35 g/mol
LogP3.38
Rot. Bonds3

About (5S)-3-benzyl-5-propan-2-yl-1,3-thiazolidin-2-one

(5S)-3-benzyl-5-propan-2-yl-1,3-thiazolidin-2-one (PubChem CID 131860745) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is (5S)-3-benzyl-5-propan-2-yl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-benzyl-5-propan-2-yl-1,3-thiazolidin-2-one
PubChem CID131860745
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name(5S)-3-benzyl-5-propan-2-yl-1,3-thiazolidin-2-one
SMILESCC(C)[C@H]1CN(Cc2ccccc2)C(=O)S1
InChIInChI=1S/C13H17NOS/c1-10(2)12-9-14(13(15)16-12)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m1/s1
InChIKeyLOBRDEXKZRCNMO-GFCCVEGCSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.38
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

(6R)-4-benzyl-6-[(1R)-1-hydroxyethyl]thiomorpholin-3-one
CID 102317833
(4S)-1-benzyl-4-propan-2-ylpiperidin-2-one
CID 171430314
2-[2-(3-benzyl-2-oxo-1,3-thiazolidin-5-yl)ethyl]isoindole-1,3-dione
CID 102530672
1-benzyl-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one
CID 141420568
1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one
CID 59057333
3-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 58532625
(3S,4S)-1-benzyl-4-ethyl-3-methylpyrrolidin-2-one
CID 59034735
4-benzyl-6-methylthiomorpholin-3-one
CID 10560956
3-benzyl-5-(2-chloropropyl)-1,3-oxazolidin-2-one
CID 161152450
(5S)-1-benzyl-5-[(1S)-1-hydroxyethyl]piperidin-2-one
CID 122231032
(4S)-1-benzyl-4-phenylimidazolidin-2-one
CID 142669129
1-benzyl-3-propan-2-yl-3,4-dihydro-2H-quinoline
CID 171430341

Frequently Asked Questions

What is the IUPAC name of (5S)-3-benzyl-5-propan-2-yl-1,3-thiazolidin-2-one?
The IUPAC name of (5S)-3-benzyl-5-propan-2-yl-1,3-thiazolidin-2-one (CID 131860745) is (5S)-3-benzyl-5-propan-2-yl-1,3-thiazolidin-2-one.
What is the SMILES notation for (5S)-3-benzyl-5-propan-2-yl-1,3-thiazolidin-2-one?
The canonical SMILES for (5S)-3-benzyl-5-propan-2-yl-1,3-thiazolidin-2-one is CC(C)[C@H]1CN(Cc2ccccc2)C(=O)S1.
What is the InChIKey of (5S)-3-benzyl-5-propan-2-yl-1,3-thiazolidin-2-one?
The InChIKey is LOBRDEXKZRCNMO-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17NOS/c1-10(2)12-9-14(13(15)16-12)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (5S)-3-benzyl-5-propan-2-yl-1,3-thiazolidin-2-one?
(5S)-3-benzyl-5-propan-2-yl-1,3-thiazolidin-2-one has a molecular weight of 235.35 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-benzyl-5-propan-2-yl-1,3-thiazolidin-2-one is sourced from PubChem (CID 131860745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).