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

C12H14N2O3S — CID 135867787

IUPAC5-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/N=C2\NC(=O)C(CCO)S2)cc1
InChIInChI=1S/C12H14N2O3S/c1-17-9-4-2-8(3-5-9)13-12-14-11(16)10(18-12)6-7-15/h2-5,10,15H,6-7H2,1H3,(H,13,14,16)
InChIKeyFXMWKBFAPGRFBP-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.30
Rot. Bonds4

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

5-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135867787) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135867787
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name5-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/N=C2\NC(=O)C(CCO)S2)cc1
InChIInChI=1S/C12H14N2O3S/c1-17-9-4-2-8(3-5-9)13-12-14-11(16)10(18-12)6-7-15/h2-5,10,15H,6-7H2,1H3,(H,13,14,16)
InChIKeyFXMWKBFAPGRFBP-UHFFFAOYSA-N
XLogP1.30
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one (CID 135867787) is 5-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one is COc1ccc(/N=C2\NC(=O)C(CCO)S2)cc1.
What is the InChIKey of 5-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is FXMWKBFAPGRFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-17-9-4-2-8(3-5-9)13-12-14-11(16)10(18-12)6-7-15/h2-5,10,15H,6-7H2,1H3,(H,13,14,16).
What are the key properties of 5-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one?
5-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 266.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135867787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).