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

C20H22N2O3S — CID 8781007

IUPAC[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
SMILESCC[C@H]1CS/C(=N\c2ccc(OC)cc2)N1C(=O)c1cccc(OC)c1
InChIInChI=1S/C20H22N2O3S/c1-4-16-13-26-20(21-15-8-10-17(24-2)11-9-15)22(16)19(23)14-6-5-7-18(12-14)25-3/h5-12,16H,4,13H2,1-3H3/b21-20-/t16-/m0/s1
InChIKeyJHQDDHAECVORAZ-JHBCHSCWSA-N
MW370.47 g/mol
LogP4.36
Rot. Bonds5

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

[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone (PubChem CID 8781007) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is [(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
PubChem CID8781007
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
SMILESCC[C@H]1CS/C(=N\c2ccc(OC)cc2)N1C(=O)c1cccc(OC)c1
InChIInChI=1S/C20H22N2O3S/c1-4-16-13-26-20(21-15-8-10-17(24-2)11-9-15)22(16)19(23)14-6-5-7-18(12-14)25-3/h5-12,16H,4,13H2,1-3H3/b21-20-/t16-/m0/s1
InChIKeyJHQDDHAECVORAZ-JHBCHSCWSA-N
XLogP4.36
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.36
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

[4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-[4-(methoxymethyl)phenyl]methanone
CID 18284741
3-[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidine-3-carbonyl]-10,10-dioxothioxanthen-9-one
CID 2122426
1-[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
CID 7916332
[4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-(1-ethylsulfonylpiperidin-4-yl)methanone
CID 18224881
1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 7915922
(3-methoxyphenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone
CID 8839914
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
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119634499

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone (CID 8781007) is [(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone is CC[C@H]1CS/C(=N\c2ccc(OC)cc2)N1C(=O)c1cccc(OC)c1.
What is the InChIKey of [(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone?
The InChIKey is JHQDDHAECVORAZ-JHBCHSCWSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-4-16-13-26-20(21-15-8-10-17(24-2)11-9-15)22(16)19(23)14-6-5-7-18(12-14)25-3/h5-12,16H,4,13H2,1-3H3/b21-20-/t16-/m0/s1.
What are the key properties of [(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone?
[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone has a molecular weight of 370.47 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 8781007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).