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

C18H16N2O3S — CID 135725449

IUPAC2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)C[C@H]2SC(c3ccc(O)cc3)=NC2=O)cc1
InChIInChI=1S/C18H16N2O3S/c1-11-2-6-13(7-3-11)19-16(22)10-15-17(23)20-18(24-15)12-4-8-14(21)9-5-12/h2-9,15,21H,10H2,1H3,(H,19,22)/t15-/m1/s1
InChIKeyIFEHHDMIWCEPMX-OAHLLOKOSA-N
MW340.40 g/mol
LogP3.12
Rot. Bonds4

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

2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide (PubChem CID 135725449) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
PubChem CID135725449
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)C[C@H]2SC(c3ccc(O)cc3)=NC2=O)cc1
InChIInChI=1S/C18H16N2O3S/c1-11-2-6-13(7-3-11)19-16(22)10-15-17(23)20-18(24-15)12-4-8-14(21)9-5-12/h2-9,15,21H,10H2,1H3,(H,19,22)/t15-/m1/s1
InChIKeyIFEHHDMIWCEPMX-OAHLLOKOSA-N
XLogP3.12
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
CID 135725453
N-(3-chloro-4-methylphenyl)-2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
CID 135725478
N-(3-chloro-4-fluorophenyl)-2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
CID 135725485
2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(4-hydroxyphenyl)acetamide
CID 7164202
N-(2-fluorophenyl)-2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
CID 135725459
2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-1-ylacetamide
CID 135725481
2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]phenyl]acetamide
CID 3936820
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 2888220
N-(2-fluorophenyl)-2-[(5S)-2-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 7987486
N-(4-methylphenyl)-2-[(5S)-2-[(3R)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 28984740
2-[(5S)-2-[(3R)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
CID 98189652
2-[(5S)-2-[(3R)-3-(4-methoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
CID 28984624

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide (CID 135725449) is 2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)C[C@H]2SC(c3ccc(O)cc3)=NC2=O)cc1.
What is the InChIKey of 2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is IFEHHDMIWCEPMX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-11-2-6-13(7-3-11)19-16(22)10-15-17(23)20-18(24-15)12-4-8-14(21)9-5-12/h2-9,15,21H,10H2,1H3,(H,19,22)/t15-/m1/s1.
What are the key properties of 2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide?
2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 340.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 135725449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).