1-[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one

C21H24N2O2S — CID 7916332

IUPAC1-[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
SMILESCC[C@H]1CS/C(=N\c2ccc(OC)cc2)N1C(=O)CCc1ccccc1
InChIInChI=1S/C21H24N2O2S/c1-3-18-15-26-21(22-17-10-12-19(25-2)13-11-17)23(18)20(24)14-9-16-7-5-4-6-8-16/h4-8,10-13,18H,3,9,14-15H2,1-2H3/b22-21-/t18-/m0/s1
InChIKeyYCFNOVDHVMKRLO-ZREAOVPFSA-N
MW368.50 g/mol
LogP4.67
Rot. Bonds6

About 1-[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one

1-[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one (PubChem CID 7916332) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 1-[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
PubChem CID7916332
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name1-[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
SMILESCC[C@H]1CS/C(=N\c2ccc(OC)cc2)N1C(=O)CCc1ccccc1
InChIInChI=1S/C21H24N2O2S/c1-3-18-15-26-21(22-17-10-12-19(25-2)13-11-17)23(18)20(24)14-9-16-7-5-4-6-8-16/h4-8,10-13,18H,3,9,14-15H2,1-2H3/b22-21-/t18-/m0/s1
InChIKeyYCFNOVDHVMKRLO-ZREAOVPFSA-N
XLogP4.67
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 8781007
[4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-[4-(methoxymethyl)phenyl]methanone
CID 18284741
[4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-(1-ethylsulfonylpiperidin-4-yl)methanone
CID 18224881
1-[4-ethyl-2-(4-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 18209376
1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 7915922
3-[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidine-3-carbonyl]-10,10-dioxothioxanthen-9-one
CID 2122426
(6R)-2-(4-methoxyphenyl)imino-4-oxo-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide
CID 1131852
1-[(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-(2-methoxyphenoxy)ethanone
CID 8780941
2-(4-methoxyphenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide
CID 5060945
(6S)-2-(4-methoxyphenyl)imino-N-methyl-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carboxamide
CID 1131820
1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-(2-methylphenoxy)ethanone
CID 7915971
2-[3-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinan-5-yl]acetic acid
CID 102481576

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one (CID 7916332) is 1-[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one is CC[C@H]1CS/C(=N\c2ccc(OC)cc2)N1C(=O)CCc1ccccc1.
What is the InChIKey of 1-[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one?
The InChIKey is YCFNOVDHVMKRLO-ZREAOVPFSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-3-18-15-26-21(22-17-10-12-19(25-2)13-11-17)23(18)20(24)14-9-16-7-5-4-6-8-16/h4-8,10-13,18H,3,9,14-15H2,1-2H3/b22-21-/t18-/m0/s1.
What are the key properties of 1-[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one?
1-[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one has a molecular weight of 368.50 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 7916332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).