5,5-bis(hydroxymethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one

C12H14N2O4S — CID 135412577

IUPAC5,5-bis(hydroxymethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/N=C2\NC(=O)C(CO)(CO)S2)cc1
InChIInChI=1S/C12H14N2O4S/c1-18-9-4-2-8(3-5-9)13-11-14-10(17)12(6-15,7-16)19-11/h2-5,15-16H,6-7H2,1H3,(H,13,14,17)
InChIKeyRHOVUVPUVPYXOS-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.27
Rot. Bonds4

About 5,5-bis(hydroxymethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one

5,5-bis(hydroxymethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135412577) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 5,5-bis(hydroxymethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5,5-bis(hydroxymethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135412577
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name5,5-bis(hydroxymethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/N=C2\NC(=O)C(CO)(CO)S2)cc1
InChIInChI=1S/C12H14N2O4S/c1-18-9-4-2-8(3-5-9)13-11-14-10(17)12(6-15,7-16)19-11/h2-5,15-16H,6-7H2,1H3,(H,13,14,17)
InChIKeyRHOVUVPUVPYXOS-UHFFFAOYSA-N
XLogP0.27
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5,5-bis(hydroxymethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z)-2-[(4-ethoxyphenyl)imino]-1,3-thiazolidin-4-one
CID 135429736
{2-[(4-Ethoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl}acetic acid
CID 135449192
methyl [2-[(4-ethoxyphenyl)amino]-4-oxo-1,3-thiazol-5(4H)-ylidene]acetate
CID 135500748
methyl (2Z)-{2-[(4-methoxyphenyl)amino]-4-oxo-1,3-thiazol-5(4H)-ylidene}ethanoate
CID 135468687
7,7-bis(hydroxymethyl)-3-(4-methoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
CID 1234026
5-Carboxymethyl-2-(4-methoxyphenylamino)-thiazole-4(5h)-one
CID 135836309
2-(4-Methoxy-phenylamino)-thiazol-4-one
CID 135411286
5,5-bis(hydroxymethyl)-2-((3-hydroxyphenyl)amino)thiazol-4(5H)-one
CID 135455919
5-(2-Hydroxyethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135867787
2-(4-Methoxyphenyl)imino-1-thia-3-azaspiro[4.4]nonane-4,9-dione
CID 136271261
2-(3-Methoxyphenyl)imino-5-methyl-1,3-thiazolidin-4-one
CID 137296827
2-(4-methoxyanilino)-5-methyl-1,3-thiazol-4(5H)-one
CID 135523620

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(hydroxymethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5,5-bis(hydroxymethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one (CID 135412577) is 5,5-bis(hydroxymethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5,5-bis(hydroxymethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5,5-bis(hydroxymethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one is COc1ccc(/N=C2\NC(=O)C(CO)(CO)S2)cc1.
What is the InChIKey of 5,5-bis(hydroxymethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is RHOVUVPUVPYXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-18-9-4-2-8(3-5-9)13-11-14-10(17)12(6-15,7-16)19-11/h2-5,15-16H,6-7H2,1H3,(H,13,14,17).
What are the key properties of 5,5-bis(hydroxymethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one?
5,5-bis(hydroxymethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 282.32 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(hydroxymethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135412577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).