5-methyl-2-[(1S)-1-phenylethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one

C15H20N2OS — CID 135513260

IUPAC5-methyl-2-[(1S)-1-phenylethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1(C)S/C(=N/[C@@H](C)c2ccccc2)NC1=O
InChIInChI=1S/C15H20N2OS/c1-10(2)15(4)13(18)17-14(19-15)16-11(3)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,16,17,18)/t11-,15?/m0/s1
InChIKeyLESGKWOTXMFHMB-VPHXOMNUSA-N
MW276.40 g/mol
LogP3.38
Rot. Bonds3

About 5-methyl-2-[(1S)-1-phenylethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one

5-methyl-2-[(1S)-1-phenylethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 135513260) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 5-methyl-2-[(1S)-1-phenylethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-methyl-2-[(1S)-1-phenylethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID135513260
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name5-methyl-2-[(1S)-1-phenylethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1(C)S/C(=N/[C@@H](C)c2ccccc2)NC1=O
InChIInChI=1S/C15H20N2OS/c1-10(2)15(4)13(18)17-14(19-15)16-11(3)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,16,17,18)/t11-,15?/m0/s1
InChIKeyLESGKWOTXMFHMB-VPHXOMNUSA-N
XLogP3.38
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-[(1R)-1-phenylethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135513261
(5R)-5-methyl-5-propan-2-yl-2-[(1R)-1-pyridin-4-ylethyl]imino-1,3-thiazolidin-4-one
CID 135989340
(5R)-2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135513272
(5S)-5-methyl-5-propan-2-yl-2-[(1S)-2,2,2-trifluoro-1-phenylethyl]imino-1,3-thiazolidin-4-one
CID 135989491
2-[(1S)-1-(2-ethylphenyl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 136626656
5-methyl-5-propan-2-yl-2-[(1R)-2,2,2-trifluoro-1-phenylethyl]imino-1,3-thiazolidin-4-one
CID 135611142
(5S)-5-methyl-5-propan-2-yl-2-[(1R)-1-pyridin-2-ylethyl]imino-1,3-thiazolidin-4-one
CID 135999759
(5R)-5-methyl-2-[(1S)-1-phenylethyl]imino-5-(trifluoromethyl)-1,3-thiazolidin-4-one;(5S)-5-methyl-2-[(1S)-1-phenylethyl]imino-5-(trifluoromethyl)-1,3-thiazolidin-4-one
CID 162136213
5-methyl-2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989331
(5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-5-pyridin-2-yl-1,3-thiazolidin-4-one
CID 135989261
(5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazolidin-4-one
CID 135566449
(5S)-5-methyl-2-[(1R)-1-(4-methylphenyl)ethyl]imino-5-pyridin-4-yl-1,3-thiazolidin-4-one;(5R)-5-methyl-2-[(1R)-1-(4-methylphenyl)ethyl]imino-5-pyridin-4-yl-1,3-thiazolidin-4-one
CID 159151855

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(1S)-1-phenylethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 5-methyl-2-[(1S)-1-phenylethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one (CID 135513260) is 5-methyl-2-[(1S)-1-phenylethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-methyl-2-[(1S)-1-phenylethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 5-methyl-2-[(1S)-1-phenylethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one is CC(C)C1(C)S/C(=N/[C@@H](C)c2ccccc2)NC1=O.
What is the InChIKey of 5-methyl-2-[(1S)-1-phenylethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is LESGKWOTXMFHMB-VPHXOMNUSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10(2)15(4)13(18)17-14(19-15)16-11(3)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,16,17,18)/t11-,15?/m0/s1.
What are the key properties of 5-methyl-2-[(1S)-1-phenylethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one?
5-methyl-2-[(1S)-1-phenylethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 276.40 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(1S)-1-phenylethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135513260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).