N-(2-fluorophenyl)-2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide

C17H13FN2O3S — CID 135725459

IUPACN-(2-fluorophenyl)-2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
SMILESO=C(C[C@@H]1SC(c2ccc(O)cc2)=NC1=O)Nc1ccccc1F
InChIInChI=1S/C17H13FN2O3S/c18-12-3-1-2-4-13(12)19-15(22)9-14-16(23)20-17(24-14)10-5-7-11(21)8-6-10/h1-8,14,21H,9H2,(H,19,22)/t14-/m0/s1
InChIKeyUBZPDKJCUXGAOK-AWEZNQCLSA-N
MW344.37 g/mol
LogP2.95
Rot. Bonds4

About N-(2-fluorophenyl)-2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide

N-(2-fluorophenyl)-2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide (PubChem CID 135725459) has the molecular formula C17H13FN2O3S and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
PubChem CID135725459
Molecular FormulaC17H13FN2O3S
Molecular Weight344.37 g/mol
Exact Mass344.06
IUPAC NameN-(2-fluorophenyl)-2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
SMILESO=C(C[C@@H]1SC(c2ccc(O)cc2)=NC1=O)Nc1ccccc1F
InChIInChI=1S/C17H13FN2O3S/c18-12-3-1-2-4-13(12)19-15(22)9-14-16(23)20-17(24-14)10-5-7-11(21)8-6-10/h1-8,14,21H,9H2,(H,19,22)/t14-/m0/s1
InChIKeyUBZPDKJCUXGAOK-AWEZNQCLSA-N
XLogP2.95
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-1-ylacetamide
CID 135725481
N-(4-fluorophenyl)-2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
CID 135725453
N-(3-chloro-4-fluorophenyl)-2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
CID 135725485
2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
CID 135725449
N-(2-fluorophenyl)-2-[(5S)-2-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 7987486
N-(3-chloro-4-methylphenyl)-2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
CID 135725478
2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(4-hydroxyphenyl)acetamide
CID 7164202
2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(2-chlorophenyl)acetamide
CID 7158134
2-[(5R)-2-[(3S)-3-(4-chlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(2-fluorophenyl)acetamide
CID 98270169
N-(2-fluorophenyl)-2-[(5R)-2-[(3S)-3-(4-methoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 28984629
N-(2-fluorophenyl)-2-[(5S)-2-[(3R)-5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 28984467
N-(2-fluorophenyl)-2-[(5R)-2-[(3R)-3-(4-methoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 28984630

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide (CID 135725459) is N-(2-fluorophenyl)-2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide is O=C(C[C@@H]1SC(c2ccc(O)cc2)=NC1=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide?
The InChIKey is UBZPDKJCUXGAOK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H13FN2O3S/c18-12-3-1-2-4-13(12)19-15(22)9-14-16(23)20-17(24-14)10-5-7-11(21)8-6-10/h1-8,14,21H,9H2,(H,19,22)/t14-/m0/s1.
What are the key properties of N-(2-fluorophenyl)-2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide?
N-(2-fluorophenyl)-2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide has a molecular weight of 344.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 135725459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).