2-(5-fluoro-2-hydroxyphenyl)-N-(5-iodo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)acetamide

C19H13FIN3O3S — CID 170794733

IUPAC2-(5-fluoro-2-hydroxyphenyl)-N-(5-iodo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)acetamide
SMILESO=C(Nc1ncc(I)s1)C(c1cc(F)ccc1O)N1Cc2ccccc2C1=O
InChIInChI=1S/C19H13FIN3O3S/c20-11-5-6-14(25)13(7-11)16(17(26)23-19-22-8-15(21)28-19)24-9-10-3-1-2-4-12(10)18(24)27/h1-8,16,25H,9H2,(H,22,23,26)
InChIKeyQZKIIWKJWJBALN-UHFFFAOYSA-N
MW509.30 g/mol
LogP3.93
Rot. Bonds4

About 2-(5-fluoro-2-hydroxyphenyl)-N-(5-iodo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)acetamide

2-(5-fluoro-2-hydroxyphenyl)-N-(5-iodo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)acetamide (PubChem CID 170794733) has the molecular formula C19H13FIN3O3S and a molecular weight of 509.30 g/mol. Its IUPAC name is 2-(5-fluoro-2-hydroxyphenyl)-N-(5-iodo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-hydroxyphenyl)-N-(5-iodo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)acetamide
PubChem CID170794733
Molecular FormulaC19H13FIN3O3S
Molecular Weight509.30 g/mol
Exact Mass508.97
IUPAC Name2-(5-fluoro-2-hydroxyphenyl)-N-(5-iodo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)acetamide
SMILESO=C(Nc1ncc(I)s1)C(c1cc(F)ccc1O)N1Cc2ccccc2C1=O
InChIInChI=1S/C19H13FIN3O3S/c20-11-5-6-14(25)13(7-11)16(17(26)23-19-22-8-15(21)28-19)24-9-10-3-1-2-4-12(10)18(24)27/h1-8,16,25H,9H2,(H,22,23,26)
InChIKeyQZKIIWKJWJBALN-UHFFFAOYSA-N
XLogP3.93
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.30
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(5-fluoro-2-hydroxyphenyl)-N-(5-iodo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-hydroxyphenyl)-N-(5-iodo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)acetamide?
The IUPAC name of 2-(5-fluoro-2-hydroxyphenyl)-N-(5-iodo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)acetamide (CID 170794733) is 2-(5-fluoro-2-hydroxyphenyl)-N-(5-iodo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)acetamide.
What is the SMILES notation for 2-(5-fluoro-2-hydroxyphenyl)-N-(5-iodo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)acetamide?
The canonical SMILES for 2-(5-fluoro-2-hydroxyphenyl)-N-(5-iodo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)acetamide is O=C(Nc1ncc(I)s1)C(c1cc(F)ccc1O)N1Cc2ccccc2C1=O.
What is the InChIKey of 2-(5-fluoro-2-hydroxyphenyl)-N-(5-iodo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)acetamide?
The InChIKey is QZKIIWKJWJBALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FIN3O3S/c20-11-5-6-14(25)13(7-11)16(17(26)23-19-22-8-15(21)28-19)24-9-10-3-1-2-4-12(10)18(24)27/h1-8,16,25H,9H2,(H,22,23,26).
What are the key properties of 2-(5-fluoro-2-hydroxyphenyl)-N-(5-iodo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)acetamide?
2-(5-fluoro-2-hydroxyphenyl)-N-(5-iodo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)acetamide has a molecular weight of 509.30 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-hydroxyphenyl)-N-(5-iodo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)acetamide is sourced from PubChem (CID 170794733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).