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

C18H17N3O3S — CID 135439771

IUPAC2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2S/C(=N/c3ccc(O)cc3)NC2=O)cc1
InChIInChI=1S/C18H17N3O3S/c1-11-2-4-12(5-3-11)19-16(23)10-15-17(24)21-18(25-15)20-13-6-8-14(22)9-7-13/h2-9,15,22H,10H2,1H3,(H,19,23)(H,20,21,24)
InChIKeyKCHKUWGRWXRFHK-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.95
Rot. Bonds4

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

2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide (PubChem CID 135439771) 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-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
PubChem CID135439771
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2S/C(=N/c3ccc(O)cc3)NC2=O)cc1
InChIInChI=1S/C18H17N3O3S/c1-11-2-4-12(5-3-11)19-16(23)10-15-17(24)21-18(25-15)20-13-6-8-14(22)9-7-13/h2-9,15,22H,10H2,1H3,(H,19,23)(H,20,21,24)
InChIKeyKCHKUWGRWXRFHK-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-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide (CID 135439771) is 2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CC2S/C(=N/c3ccc(O)cc3)NC2=O)cc1.
What is the InChIKey of 2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is KCHKUWGRWXRFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-11-2-4-12(5-3-11)19-16(23)10-15-17(24)21-18(25-15)20-13-6-8-14(22)9-7-13/h2-9,15,22H,10H2,1H3,(H,19,23)(H,20,21,24).
What are the key properties of 2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
2-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-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-(4-methylphenyl)acetamide is sourced from PubChem (CID 135439771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).