2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide

C18H17N3O3S — CID 135486272

IUPAC2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CC1S/C(=N/c2ccc(O)cc2)NC1=O
InChIInChI=1S/C18H17N3O3S/c1-11-4-2-3-5-14(11)20-16(23)10-15-17(24)21-18(25-15)19-12-6-8-13(22)9-7-12/h2-9,15,22H,10H2,1H3,(H,20,23)(H,19,21,24)
InChIKeyRKUWCNXWGUDJSU-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.95
Rot. Bonds4

About 2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide

2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide (PubChem CID 135486272) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
PubChem CID135486272
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CC1S/C(=N/c2ccc(O)cc2)NC1=O
InChIInChI=1S/C18H17N3O3S/c1-11-4-2-3-5-14(11)20-16(23)10-15-17(24)21-18(25-15)19-12-6-8-13(22)9-7-12/h2-9,15,22H,10H2,1H3,(H,20,23)(H,19,21,24)
InChIKeyRKUWCNXWGUDJSU-UHFFFAOYSA-N
XLogP2.95
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.95
H-Bond Donors ≤ 53
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 2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide (CID 135486272) is 2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CC1S/C(=N/c2ccc(O)cc2)NC1=O.
What is the InChIKey of 2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is RKUWCNXWGUDJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-11-4-2-3-5-14(11)20-16(23)10-15-17(24)21-18(25-15)19-12-6-8-13(22)9-7-12/h2-9,15,22H,10H2,1H3,(H,20,23)(H,19,21,24).
What are the key properties of 2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 355.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 135486272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).