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

C21H16N2O3S — CID 135725481

IUPAC2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-1-ylacetamide
SMILESO=C(C[C@@H]1SC(c2ccc(O)cc2)=NC1=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H16N2O3S/c24-15-10-8-14(9-11-15)21-23-20(26)18(27-21)12-19(25)22-17-7-3-5-13-4-1-2-6-16(13)17/h1-11,18,24H,12H2,(H,22,25)/t18-/m0/s1
InChIKeyDKLQAKMKIMJSQP-SFHVURJKSA-N
MW376.44 g/mol
LogP3.96
Rot. Bonds4

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

2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-1-ylacetamide (PubChem CID 135725481) has the molecular formula C21H16N2O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-1-ylacetamide
PubChem CID135725481
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC Name2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-1-ylacetamide
SMILESO=C(C[C@@H]1SC(c2ccc(O)cc2)=NC1=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H16N2O3S/c24-15-10-8-14(9-11-15)21-23-20(26)18(27-21)12-19(25)22-17-7-3-5-13-4-1-2-6-16(13)17/h1-11,18,24H,12H2,(H,22,25)/t18-/m0/s1
InChIKeyDKLQAKMKIMJSQP-SFHVURJKSA-N
XLogP3.96
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
CID 135725459
N-(4-fluorophenyl)-2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
CID 135725453
N-naphthalen-1-yl-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 30097441
N-(3-chloro-4-fluorophenyl)-2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
CID 135725485
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
N-(2-bromophenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide
CID 43025347
2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(2-chlorophenyl)acetamide
CID 7158134
N-(3-chloro-2-methylphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide
CID 43025340
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
2-(2-hydrazinyl-4-oxo-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide
CID 140985283
2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide
CID 3155764

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-1-ylacetamide (CID 135725481) is 2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-1-ylacetamide is O=C(C[C@@H]1SC(c2ccc(O)cc2)=NC1=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-1-ylacetamide?
The InChIKey is DKLQAKMKIMJSQP-SFHVURJKSA-N. The full InChI is InChI=1S/C21H16N2O3S/c24-15-10-8-14(9-11-15)21-23-20(26)18(27-21)12-19(25)22-17-7-3-5-13-4-1-2-6-16(13)17/h1-11,18,24H,12H2,(H,22,25)/t18-/m0/s1.
What are the key properties of 2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-1-ylacetamide?
2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-1-ylacetamide has a molecular weight of 376.44 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 135725481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).