[4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-[4-(methoxymethyl)phenyl]methanone

C21H24N2O3S — CID 18284741

IUPAC[4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-[4-(methoxymethyl)phenyl]methanone
SMILESCCC1CS/C(=N\c2ccc(OC)cc2)N1C(=O)c1ccc(COC)cc1
InChIInChI=1S/C21H24N2O3S/c1-4-18-14-27-21(22-17-9-11-19(26-3)12-10-17)23(18)20(24)16-7-5-15(6-8-16)13-25-2/h5-12,18H,4,13-14H2,1-3H3/b22-21-
InChIKeyOAWVRLFIYBEEJP-DQRAZIAOSA-N
MW384.50 g/mol
LogP4.50
Rot. Bonds6

About [4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-[4-(methoxymethyl)phenyl]methanone

[4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-[4-(methoxymethyl)phenyl]methanone (PubChem CID 18284741) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is [4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-[4-(methoxymethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-[4-(methoxymethyl)phenyl]methanone
PubChem CID18284741
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name[4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-[4-(methoxymethyl)phenyl]methanone
SMILESCCC1CS/C(=N\c2ccc(OC)cc2)N1C(=O)c1ccc(COC)cc1
InChIInChI=1S/C21H24N2O3S/c1-4-18-14-27-21(22-17-9-11-19(26-3)12-10-17)23(18)20(24)16-7-5-15(6-8-16)13-25-2/h5-12,18H,4,13-14H2,1-3H3/b22-21-
InChIKeyOAWVRLFIYBEEJP-DQRAZIAOSA-N
XLogP4.50
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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
1-[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
CID 7916332
3-[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidine-3-carbonyl]-10,10-dioxothioxanthen-9-one
CID 2122426
[4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-(1-ethylsulfonylpiperidin-4-yl)methanone
CID 18224881
[4-(methoxymethyl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 6498957
1-[4-[2-[(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethoxy]phenyl]propan-1-one
CID 7916000
2-[3-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinan-5-yl]acetic acid
CID 102481576
methyl 4-[[2-(4-methoxyphenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
CID 4232702
ethyl (NZ)-N-[4-(chloromethyl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-ylidene]carbamate
CID 11210070
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
3-[2-[4-ethyl-2-(4-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 24818388

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-[4-(methoxymethyl)phenyl]methanone?
The IUPAC name of [4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-[4-(methoxymethyl)phenyl]methanone (CID 18284741) is [4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-[4-(methoxymethyl)phenyl]methanone.
What is the SMILES notation for [4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-[4-(methoxymethyl)phenyl]methanone?
The canonical SMILES for [4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-[4-(methoxymethyl)phenyl]methanone is CCC1CS/C(=N\c2ccc(OC)cc2)N1C(=O)c1ccc(COC)cc1.
What is the InChIKey of [4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-[4-(methoxymethyl)phenyl]methanone?
The InChIKey is OAWVRLFIYBEEJP-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-4-18-14-27-21(22-17-9-11-19(26-3)12-10-17)23(18)20(24)16-7-5-15(6-8-16)13-25-2/h5-12,18H,4,13-14H2,1-3H3/b22-21-.
What are the key properties of [4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-[4-(methoxymethyl)phenyl]methanone?
[4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-[4-(methoxymethyl)phenyl]methanone has a molecular weight of 384.50 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-[4-(methoxymethyl)phenyl]methanone is sourced from PubChem (CID 18284741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).