5-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]-1,3-thiazolidine-2,4-dione

C13H11N3O4S2 — CID 2898023

IUPAC5-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]-1,3-thiazolidine-2,4-dione
SMILESCN(C1=NC(=O)C(C2SC(=O)NC2=O)S1)c1ccc(O)cc1
InChIInChI=1S/C13H11N3O4S2/c1-16(6-2-4-7(17)5-3-6)12-14-10(18)8(21-12)9-11(19)15-13(20)22-9/h2-5,8-9,17H,1H3,(H,15,19,20)
InChIKeyVMSZLSYXYCFZRZ-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.18
Rot. Bonds2

About 5-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]-1,3-thiazolidine-2,4-dione

5-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 2898023) has the molecular formula C13H11N3O4S2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]-1,3-thiazolidine-2,4-dione
PubChem CID2898023
Molecular FormulaC13H11N3O4S2
Molecular Weight337.38 g/mol
Exact Mass337.02
IUPAC Name5-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]-1,3-thiazolidine-2,4-dione
SMILESCN(C1=NC(=O)C(C2SC(=O)NC2=O)S1)c1ccc(O)cc1
InChIInChI=1S/C13H11N3O4S2/c1-16(6-2-4-7(17)5-3-6)12-14-10(18)8(21-12)9-11(19)15-13(20)22-9/h2-5,8-9,17H,1H3,(H,15,19,20)
InChIKeyVMSZLSYXYCFZRZ-UHFFFAOYSA-N
XLogP1.18
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', '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
2-[(4-hydroxyphenyl)amino]-1,3-thiazol-4(5H)-one
CID 135435921
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
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
4-[(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenol
CID 16762657
N-(4-fluorophenyl)-2-{(2E)-4-hydroxy-2-[(4-hydroxyphenyl)imino]-2,5-dihydro-1,3-thiazol-5-yl}acetamide
CID 135478175

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]-1,3-thiazolidine-2,4-dione (CID 2898023) is 5-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]-1,3-thiazolidine-2,4-dione is CN(C1=NC(=O)C(C2SC(=O)NC2=O)S1)c1ccc(O)cc1.
What is the InChIKey of 5-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is VMSZLSYXYCFZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4S2/c1-16(6-2-4-7(17)5-3-6)12-14-10(18)8(21-12)9-11(19)15-13(20)22-9/h2-5,8-9,17H,1H3,(H,15,19,20).
What are the key properties of 5-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]-1,3-thiazolidine-2,4-dione?
5-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 337.38 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2898023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).