1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-(2-methylphenoxy)ethanone

C21H24N2O2S — CID 7915971

IUPAC1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-(2-methylphenoxy)ethanone
SMILESCC[C@@H]1CS/C(=N\c2cccc(C)c2)N1C(=O)COc1ccccc1C
InChIInChI=1S/C21H24N2O2S/c1-4-18-14-26-21(22-17-10-7-8-15(2)12-17)23(18)20(24)13-25-19-11-6-5-9-16(19)3/h5-12,18H,4,13-14H2,1-3H3/b22-21-/t18-/m1/s1
InChIKeyHAYPYRRKPBSKST-UGNPLGLKSA-N
MW368.50 g/mol
LogP4.72
Rot. Bonds5

About 1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-(2-methylphenoxy)ethanone

1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-(2-methylphenoxy)ethanone (PubChem CID 7915971) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-(2-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-(2-methylphenoxy)ethanone
PubChem CID7915971
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-(2-methylphenoxy)ethanone
SMILESCC[C@@H]1CS/C(=N\c2cccc(C)c2)N1C(=O)COc1ccccc1C
InChIInChI=1S/C21H24N2O2S/c1-4-18-14-26-21(22-17-10-7-8-15(2)12-17)23(18)20(24)13-25-19-11-6-5-9-16(19)3/h5-12,18H,4,13-14H2,1-3H3/b22-21-/t18-/m1/s1
InChIKeyHAYPYRRKPBSKST-UGNPLGLKSA-N
XLogP4.72
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.72
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

1-[(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-(2-methoxyphenoxy)ethanone
CID 8780941
1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 7915922
2-[2-[(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethoxy]benzonitrile
CID 8780943
1-[4-[2-[(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethoxy]phenyl]propan-1-one
CID 7916000
[(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-phenylmethanone
CID 7915910
3-(1,3-benzodioxol-5-yl)-1-[4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]propan-1-one
CID 18287605
4-[(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidine-3-carbonyl]benzonitrile
CID 8780937
[(4R)-4-ethyl-2-phenylimino-1,3-thiazolidin-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 8781080
1-[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
CID 7916332
[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 8781007
1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone
CID 112977253
1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818889

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-(2-methylphenoxy)ethanone?
The IUPAC name of 1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-(2-methylphenoxy)ethanone (CID 7915971) is 1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-(2-methylphenoxy)ethanone.
What is the SMILES notation for 1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-(2-methylphenoxy)ethanone?
The canonical SMILES for 1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-(2-methylphenoxy)ethanone is CC[C@@H]1CS/C(=N\c2cccc(C)c2)N1C(=O)COc1ccccc1C.
What is the InChIKey of 1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-(2-methylphenoxy)ethanone?
The InChIKey is HAYPYRRKPBSKST-UGNPLGLKSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-4-18-14-26-21(22-17-10-7-8-15(2)12-17)23(18)20(24)13-25-19-11-6-5-9-16(19)3/h5-12,18H,4,13-14H2,1-3H3/b22-21-/t18-/m1/s1.
What are the key properties of 1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-(2-methylphenoxy)ethanone?
1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-(2-methylphenoxy)ethanone has a molecular weight of 368.50 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-(2-methylphenoxy)ethanone is sourced from PubChem (CID 7915971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).