2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide

C20H19N3O3S — CID 3817207

IUPAC2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESC=CCN1C(=O)C(CC(=O)Nc2ccccc2)S/C1=N\c1ccc(O)cc1
InChIInChI=1S/C20H19N3O3S/c1-2-12-23-19(26)17(13-18(25)21-14-6-4-3-5-7-14)27-20(23)22-15-8-10-16(24)11-9-15/h2-11,17,24H,1,12-13H2,(H,21,25)/b22-20-
InChIKeyORHZVQQGVBNWOZ-XDOYNYLZSA-N
MW381.46 g/mol
LogP3.54
Rot. Bonds6

About 2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 3817207) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID3817207
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESC=CCN1C(=O)C(CC(=O)Nc2ccccc2)S/C1=N\c1ccc(O)cc1
InChIInChI=1S/C20H19N3O3S/c1-2-12-23-19(26)17(13-18(25)21-14-6-4-3-5-7-14)27-20(23)22-15-8-10-16(24)11-9-15/h2-11,17,24H,1,12-13H2,(H,21,25)/b22-20-
InChIKeyORHZVQQGVBNWOZ-XDOYNYLZSA-N
XLogP3.54
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-{(2E)-2-[(4-hydroxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl}-N-phenylacetamide
CID 135520999
2-{(2E)-2-[(4-hydroxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl}-N-(4-methylphenyl)acetamide
CID 135439771
{2-[(4-Hydroxyphenyl)(methyl)amino]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetic acid
CID 2893049
(E)-N-Ethyl-N'-(3-fluorophenyl)-1-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-YL]sulfanyl}methanimidamide
CID 3239631
2-{(2E)-2-[(4-hydroxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl}-N-(2-methylphenyl)acetamide
CID 135486272
2-[(4-hydroxyphenyl)(methyl)amino]-1,3-thiazol-4(5H)-one
CID 753487
[2-(4-Hydroxy-phenylimino)-4-oxo-thiazolidin-5-yl]-acetic acid
CID 135412572
4-Thiazolidinone, 3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)imino]-
CID 657890
3-Allyl-2-[(4-hydroxyphenyl)imino]-1,3-thiazolidin-4-one
CID 1230260
1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl N,N'-diethylimidothiocarbamate
CID 2833587
N-(4-bromophenyl)-2-{2-[(4-hydroxyphenyl)(methyl)amino]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamide
CID 2941543
3-ethyl-2-(ethylimino)-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 3139559

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 3817207) is 2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide is C=CCN1C(=O)C(CC(=O)Nc2ccccc2)S/C1=N\c1ccc(O)cc1.
What is the InChIKey of 2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is ORHZVQQGVBNWOZ-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-2-12-23-19(26)17(13-18(25)21-14-6-4-3-5-7-14)27-20(23)22-15-8-10-16(24)11-9-15/h2-11,17,24H,1,12-13H2,(H,21,25)/b22-20-.
What are the key properties of 2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 381.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 3817207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).