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

C15H11NO2S — CID 59337820

IUPAC4-methyl-5-naphthalen-1-yl-1,3-thiazole-2-carboxylic acid
SMILESCc1nc(C(=O)O)sc1-c1cccc2ccccc12
InChIInChI=1S/C15H11NO2S/c1-9-13(19-14(16-9)15(17)18)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H,17,18)
InChIKeyZJEKLUQRJPDRNJ-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.97
Rot. Bonds2

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

4-methyl-5-naphthalen-1-yl-1,3-thiazole-2-carboxylic acid (PubChem CID 59337820) has the molecular formula C15H11NO2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-methyl-5-naphthalen-1-yl-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-5-naphthalen-1-yl-1,3-thiazole-2-carboxylic acid
PubChem CID59337820
Molecular FormulaC15H11NO2S
Molecular Weight269.33 g/mol
Exact Mass269.05
IUPAC Name4-methyl-5-naphthalen-1-yl-1,3-thiazole-2-carboxylic acid
SMILESCc1nc(C(=O)O)sc1-c1cccc2ccccc12
InChIInChI=1S/C15H11NO2S/c1-9-13(19-14(16-9)15(17)18)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H,17,18)
InChIKeyZJEKLUQRJPDRNJ-UHFFFAOYSA-N
XLogP3.97
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-naphthalen-1-yl-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-methyl-5-naphthalen-1-yl-1,3-thiazole-2-carboxylic acid (CID 59337820) is 4-methyl-5-naphthalen-1-yl-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-methyl-5-naphthalen-1-yl-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-methyl-5-naphthalen-1-yl-1,3-thiazole-2-carboxylic acid is Cc1nc(C(=O)O)sc1-c1cccc2ccccc12.
What is the InChIKey of 4-methyl-5-naphthalen-1-yl-1,3-thiazole-2-carboxylic acid?
The InChIKey is ZJEKLUQRJPDRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c1-9-13(19-14(16-9)15(17)18)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H,17,18).
What are the key properties of 4-methyl-5-naphthalen-1-yl-1,3-thiazole-2-carboxylic acid?
4-methyl-5-naphthalen-1-yl-1,3-thiazole-2-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-naphthalen-1-yl-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 59337820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).