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

C11H11ClN2O3S — CID 135410795

IUPAC2-(2-chlorophenyl)imino-5,5-bis(hydroxymethyl)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2Cl)SC1(CO)CO
InChIInChI=1S/C11H11ClN2O3S/c12-7-3-1-2-4-8(7)13-10-14-9(17)11(5-15,6-16)18-10/h1-4,15-16H,5-6H2,(H,13,14,17)
InChIKeyRKDZQGBRIUFOHY-UHFFFAOYSA-N
MW286.74 g/mol
LogP0.91
Rot. Bonds3

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

2-(2-chlorophenyl)imino-5,5-bis(hydroxymethyl)-1,3-thiazolidin-4-one (PubChem CID 135410795) has the molecular formula C11H11ClN2O3S and a molecular weight of 286.74 g/mol. Its IUPAC name is 2-(2-chlorophenyl)imino-5,5-bis(hydroxymethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)imino-5,5-bis(hydroxymethyl)-1,3-thiazolidin-4-one
PubChem CID135410795
Molecular FormulaC11H11ClN2O3S
Molecular Weight286.74 g/mol
Exact Mass286.02
IUPAC Name2-(2-chlorophenyl)imino-5,5-bis(hydroxymethyl)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2Cl)SC1(CO)CO
InChIInChI=1S/C11H11ClN2O3S/c12-7-3-1-2-4-8(7)13-10-14-9(17)11(5-15,6-16)18-10/h1-4,15-16H,5-6H2,(H,13,14,17)
InChIKeyRKDZQGBRIUFOHY-UHFFFAOYSA-N
XLogP0.91
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Chlorophenyl)imino-5-methyl-1,3-thiazolidin-4-one
CID 135999786
Stk347774
CID 135417096
5,5-Bis-hydroxymethyl-2-phenylamino-thiazol-4-one
CID 135445028
2-[(2-chlorophenyl)amino]-5-ethyl-1,3-thiazol-4(5H)-one
CID 135414364
2-(2-Chlorophenyl)imino-5-(methoxymethyl)-5-methyl-1,3-thiazolidin-4-one
CID 135989174
(5S)-2-(2-chlorophenyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989199
(5R)-2-(2-chlorophenyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989262
2-(2-Chlorophenyl)imino-5-methyl-5-propyl-1,3-thiazolidin-4-one
CID 135989476
2-(2-Chlorophenyl)imino-5-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one
CID 135989496
2-(2-Chlorophenyl)imino-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazolidin-4-one
CID 135989527
2-(2-Chlorophenyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989831
(5R)-2-(2-chlorophenyl)imino-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazolidin-4-one
CID 136021316

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)imino-5,5-bis(hydroxymethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chlorophenyl)imino-5,5-bis(hydroxymethyl)-1,3-thiazolidin-4-one (CID 135410795) is 2-(2-chlorophenyl)imino-5,5-bis(hydroxymethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)imino-5,5-bis(hydroxymethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)imino-5,5-bis(hydroxymethyl)-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccccc2Cl)SC1(CO)CO.
What is the InChIKey of 2-(2-chlorophenyl)imino-5,5-bis(hydroxymethyl)-1,3-thiazolidin-4-one?
The InChIKey is RKDZQGBRIUFOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3S/c12-7-3-1-2-4-8(7)13-10-14-9(17)11(5-15,6-16)18-10/h1-4,15-16H,5-6H2,(H,13,14,17).
What are the key properties of 2-(2-chlorophenyl)imino-5,5-bis(hydroxymethyl)-1,3-thiazolidin-4-one?
2-(2-chlorophenyl)imino-5,5-bis(hydroxymethyl)-1,3-thiazolidin-4-one has a molecular weight of 286.74 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)imino-5,5-bis(hydroxymethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135410795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).