5-acetyl-2-naphthalen-2-yl-1,3-thiazole-4-carboxylic acid

C16H11NO3S — CID 106696152

IUPAC5-acetyl-2-naphthalen-2-yl-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(-c2ccc3ccccc3c2)nc1C(=O)O
InChIInChI=1S/C16H11NO3S/c1-9(18)14-13(16(19)20)17-15(21-14)12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H,19,20)
InChIKeySKUVDPGQPXJAOT-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.86
Rot. Bonds3

About 5-acetyl-2-naphthalen-2-yl-1,3-thiazole-4-carboxylic acid

5-acetyl-2-naphthalen-2-yl-1,3-thiazole-4-carboxylic acid (PubChem CID 106696152) has the molecular formula C16H11NO3S and a molecular weight of 297.34 g/mol. Its IUPAC name is 5-acetyl-2-naphthalen-2-yl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-naphthalen-2-yl-1,3-thiazole-4-carboxylic acid
PubChem CID106696152
Molecular FormulaC16H11NO3S
Molecular Weight297.34 g/mol
Exact Mass297.05
IUPAC Name5-acetyl-2-naphthalen-2-yl-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(-c2ccc3ccccc3c2)nc1C(=O)O
InChIInChI=1S/C16H11NO3S/c1-9(18)14-13(16(19)20)17-15(21-14)12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H,19,20)
InChIKeySKUVDPGQPXJAOT-UHFFFAOYSA-N
XLogP3.86
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetyl-2-(3-aminophenyl)-1,3-thiazole-4-carboxylic acid
CID 107380226
5-acetyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 136690611
5-acetyl-2-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106696176
(2-naphthalen-2-yl-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone
CID 147321417
5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 106696187
5-acetyl-2-isoquinolin-1-yl-1,3-thiazole-4-carboxylic acid
CID 106696372
5-acetyl-2-isoquinolin-4-yl-1,3-thiazole-4-carboxylic acid
CID 106696109
5-acetyl-2-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106696122
5-acetyl-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106696093
5-acetyl-2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 106696203
2-tert-butyl-4-naphthalen-2-yl-1,3-thiazole-5-carboxylic acid
CID 69475453
methyl 5-acetyl-2-(3,4-dihydroxyphenyl)-1,3-thiazole-4-carboxylate
CID 136889058

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-naphthalen-2-yl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-naphthalen-2-yl-1,3-thiazole-4-carboxylic acid (CID 106696152) is 5-acetyl-2-naphthalen-2-yl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-naphthalen-2-yl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-naphthalen-2-yl-1,3-thiazole-4-carboxylic acid is CC(=O)c1sc(-c2ccc3ccccc3c2)nc1C(=O)O.
What is the InChIKey of 5-acetyl-2-naphthalen-2-yl-1,3-thiazole-4-carboxylic acid?
The InChIKey is SKUVDPGQPXJAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3S/c1-9(18)14-13(16(19)20)17-15(21-14)12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H,19,20).
What are the key properties of 5-acetyl-2-naphthalen-2-yl-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-naphthalen-2-yl-1,3-thiazole-4-carboxylic acid has a molecular weight of 297.34 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-naphthalen-2-yl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106696152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).