methyl 2-[4-(4-hydroxyphenyl)imino-2-oxo-1,3-thiazolidin-5-yl]acetate

C12H12N2O4S — CID 135473525

IUPACmethyl 2-[4-(4-hydroxyphenyl)imino-2-oxo-1,3-thiazolidin-5-yl]acetate
SMILESCOC(=O)CC1SC(=O)N/C1=N/c1ccc(O)cc1
InChIInChI=1S/C12H12N2O4S/c1-18-10(16)6-9-11(14-12(17)19-9)13-7-2-4-8(15)5-3-7/h2-5,9,15H,6H2,1H3,(H,13,14,17)
InChIKeyZJHUSXBBRXZGNA-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.81
Rot. Bonds3

About methyl 2-[4-(4-hydroxyphenyl)imino-2-oxo-1,3-thiazolidin-5-yl]acetate

methyl 2-[4-(4-hydroxyphenyl)imino-2-oxo-1,3-thiazolidin-5-yl]acetate (PubChem CID 135473525) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is methyl 2-[4-(4-hydroxyphenyl)imino-2-oxo-1,3-thiazolidin-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-hydroxyphenyl)imino-2-oxo-1,3-thiazolidin-5-yl]acetate
PubChem CID135473525
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Namemethyl 2-[4-(4-hydroxyphenyl)imino-2-oxo-1,3-thiazolidin-5-yl]acetate
SMILESCOC(=O)CC1SC(=O)N/C1=N/c1ccc(O)cc1
InChIInChI=1S/C12H12N2O4S/c1-18-10(16)6-9-11(14-12(17)19-9)13-7-2-4-8(15)5-3-7/h2-5,9,15H,6H2,1H3,(H,13,14,17)
InChIKeyZJHUSXBBRXZGNA-UHFFFAOYSA-N
XLogP1.81
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl {(4Z)-4-[(4-ethoxyphenyl)imino]-2-oxo-1,3-thiazolidin-5-yl}acetate
CID 135511624
2-[(4-hydroxyphenyl)amino]-1,3-thiazol-4(5H)-one
CID 135435921
[2-(4-Hydroxy-phenylimino)-4-oxo-thiazolidin-5-yl]-acetic acid
CID 135412572
Methyl 2-{4-[(4-methoxyphenyl)azamethylene]-2-oxo-1,3-thiazolidin-5-yl}acetate
CID 135512314
{2-[(3-Hydroxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl}acetic acid
CID 135435959
5-Carboxymethyl-2-(4-methoxyphenylamino)-thiazole-4(5h)-one
CID 135836309
4-(4-hydroxyanilino)-5H-1,3-thiazol-2-one
CID 135411573
2-[2-(4-Hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetic acid
CID 3397838
3-[[2-[2-(4-Hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetyl]amino]propanoic acid
CID 4713579
4-[[2-[2-(4-Hydroxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetyl]amino]butanoic acid
CID 4713586
2-[[2-[2-(4-Hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]acetic acid
CID 135417451
3-(2-{2-[(4-Hydroxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl}acetamido)propanoic acid
CID 135417455

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-hydroxyphenyl)imino-2-oxo-1,3-thiazolidin-5-yl]acetate?
The IUPAC name of methyl 2-[4-(4-hydroxyphenyl)imino-2-oxo-1,3-thiazolidin-5-yl]acetate (CID 135473525) is methyl 2-[4-(4-hydroxyphenyl)imino-2-oxo-1,3-thiazolidin-5-yl]acetate.
What is the SMILES notation for methyl 2-[4-(4-hydroxyphenyl)imino-2-oxo-1,3-thiazolidin-5-yl]acetate?
The canonical SMILES for methyl 2-[4-(4-hydroxyphenyl)imino-2-oxo-1,3-thiazolidin-5-yl]acetate is COC(=O)CC1SC(=O)N/C1=N/c1ccc(O)cc1.
What is the InChIKey of methyl 2-[4-(4-hydroxyphenyl)imino-2-oxo-1,3-thiazolidin-5-yl]acetate?
The InChIKey is ZJHUSXBBRXZGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-18-10(16)6-9-11(14-12(17)19-9)13-7-2-4-8(15)5-3-7/h2-5,9,15H,6H2,1H3,(H,13,14,17).
What are the key properties of methyl 2-[4-(4-hydroxyphenyl)imino-2-oxo-1,3-thiazolidin-5-yl]acetate?
methyl 2-[4-(4-hydroxyphenyl)imino-2-oxo-1,3-thiazolidin-5-yl]acetate has a molecular weight of 280.31 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-hydroxyphenyl)imino-2-oxo-1,3-thiazolidin-5-yl]acetate is sourced from PubChem (CID 135473525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).