2-(5-fluoro-2-hydroxyphenyl)-2-[(2-iodophenyl)methylamino]-N-(1,3-thiazol-2-yl)acetamide

C18H15FIN3O2S — CID 170794718

IUPAC2-(5-fluoro-2-hydroxyphenyl)-2-[(2-iodophenyl)methylamino]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(NCc1ccccc1I)c1cc(F)ccc1O
InChIInChI=1S/C18H15FIN3O2S/c19-12-5-6-15(24)13(9-12)16(17(25)23-18-21-7-8-26-18)22-10-11-3-1-2-4-14(11)20/h1-9,16,22,24H,10H2,(H,21,23,25)
InChIKeyCCODVXXFVZBNOA-UHFFFAOYSA-N
MW483.31 g/mol
LogP4.06
Rot. Bonds6

About 2-(5-fluoro-2-hydroxyphenyl)-2-[(2-iodophenyl)methylamino]-N-(1,3-thiazol-2-yl)acetamide

2-(5-fluoro-2-hydroxyphenyl)-2-[(2-iodophenyl)methylamino]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 170794718) has the molecular formula C18H15FIN3O2S and a molecular weight of 483.31 g/mol. Its IUPAC name is 2-(5-fluoro-2-hydroxyphenyl)-2-[(2-iodophenyl)methylamino]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-hydroxyphenyl)-2-[(2-iodophenyl)methylamino]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID170794718
Molecular FormulaC18H15FIN3O2S
Molecular Weight483.31 g/mol
Exact Mass482.99
IUPAC Name2-(5-fluoro-2-hydroxyphenyl)-2-[(2-iodophenyl)methylamino]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(NCc1ccccc1I)c1cc(F)ccc1O
InChIInChI=1S/C18H15FIN3O2S/c19-12-5-6-15(24)13(9-12)16(17(25)23-18-21-7-8-26-18)22-10-11-3-1-2-4-14(11)20/h1-9,16,22,24H,10H2,(H,21,23,25)
InChIKeyCCODVXXFVZBNOA-UHFFFAOYSA-N
XLogP4.06
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.31
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Eai045
CID 121231412
(2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 125461985
N'-[2-(tert-butylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N'-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)butanediamide
CID 3205540
Benzamide, 2-hydroxy-N-2-thiazolyl-
CID 578639
N-Benzyl-N-[tert-butylcarbamoyl-(4-hydroxy-phenyl)-methyl]-N'-thiazol-2-yl-succinamide
CID 3205496
N'-[2-(tert-butylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N'-(2-fluorophenyl)-N-(1,3-thiazol-2-yl)butanediamide
CID 3205539
N'-[2-(tert-butylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N'-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)butanediamide
CID 3205541
2,4-difluoro-N-[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 46879223
N-[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]hexadecanamide
CID 46879229
2-(5-fluoro-2-hydroxyphenyl)-N-(5-iodothiazol-2-yl)-2-(1-oxoisoindolin-2-yl)acetamide
CID 170794733
t-Butyl (t-butoxycarbonyl)(1-(5-fluoro-2-hydroxyphenyl)-2-oxo-2-(thiazol-2-ylamino)ethyl)carbamate
CID 170794746
4-hydroxy-2-[(2-hydroxyphenyl)methyl]-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-2-carboxamide
CID 23316966

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-hydroxyphenyl)-2-[(2-iodophenyl)methylamino]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(5-fluoro-2-hydroxyphenyl)-2-[(2-iodophenyl)methylamino]-N-(1,3-thiazol-2-yl)acetamide (CID 170794718) is 2-(5-fluoro-2-hydroxyphenyl)-2-[(2-iodophenyl)methylamino]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(5-fluoro-2-hydroxyphenyl)-2-[(2-iodophenyl)methylamino]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(5-fluoro-2-hydroxyphenyl)-2-[(2-iodophenyl)methylamino]-N-(1,3-thiazol-2-yl)acetamide is O=C(Nc1nccs1)C(NCc1ccccc1I)c1cc(F)ccc1O.
What is the InChIKey of 2-(5-fluoro-2-hydroxyphenyl)-2-[(2-iodophenyl)methylamino]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is CCODVXXFVZBNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FIN3O2S/c19-12-5-6-15(24)13(9-12)16(17(25)23-18-21-7-8-26-18)22-10-11-3-1-2-4-14(11)20/h1-9,16,22,24H,10H2,(H,21,23,25).
What are the key properties of 2-(5-fluoro-2-hydroxyphenyl)-2-[(2-iodophenyl)methylamino]-N-(1,3-thiazol-2-yl)acetamide?
2-(5-fluoro-2-hydroxyphenyl)-2-[(2-iodophenyl)methylamino]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 483.31 g/mol, XLogP of 4.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-hydroxyphenyl)-2-[(2-iodophenyl)methylamino]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 170794718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).