2-(4-cyano-5-fluoronaphthalen-2-yl)-1,3-thiazole-5-carboxylic acid

C15H7FN2O2S — CID 58409519

IUPAC2-(4-cyano-5-fluoronaphthalen-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESN#Cc1cc(-c2ncc(C(=O)O)s2)cc2cccc(F)c12
InChIInChI=1S/C15H7FN2O2S/c16-11-3-1-2-8-4-9(5-10(6-17)13(8)11)14-18-7-12(21-14)15(19)20/h1-5,7H,(H,19,20)
InChIKeyZWPZVYUISPPABN-UHFFFAOYSA-N
MW298.30 g/mol
LogP3.67
Rot. Bonds2

About 2-(4-cyano-5-fluoronaphthalen-2-yl)-1,3-thiazole-5-carboxylic acid

2-(4-cyano-5-fluoronaphthalen-2-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 58409519) has the molecular formula C15H7FN2O2S and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-(4-cyano-5-fluoronaphthalen-2-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-cyano-5-fluoronaphthalen-2-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID58409519
Molecular FormulaC15H7FN2O2S
Molecular Weight298.30 g/mol
Exact Mass298.02
IUPAC Name2-(4-cyano-5-fluoronaphthalen-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESN#Cc1cc(-c2ncc(C(=O)O)s2)cc2cccc(F)c12
InChIInChI=1S/C15H7FN2O2S/c16-11-3-1-2-8-4-9(5-10(6-17)13(8)11)14-18-7-12(21-14)15(19)20/h1-5,7H,(H,19,20)
InChIKeyZWPZVYUISPPABN-UHFFFAOYSA-N
XLogP3.67
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-5-fluoronaphthalen-2-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4-cyano-5-fluoronaphthalen-2-yl)-1,3-thiazole-5-carboxylic acid (CID 58409519) is 2-(4-cyano-5-fluoronaphthalen-2-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-cyano-5-fluoronaphthalen-2-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4-cyano-5-fluoronaphthalen-2-yl)-1,3-thiazole-5-carboxylic acid is N#Cc1cc(-c2ncc(C(=O)O)s2)cc2cccc(F)c12.
What is the InChIKey of 2-(4-cyano-5-fluoronaphthalen-2-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZWPZVYUISPPABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7FN2O2S/c16-11-3-1-2-8-4-9(5-10(6-17)13(8)11)14-18-7-12(21-14)15(19)20/h1-5,7H,(H,19,20).
What are the key properties of 2-(4-cyano-5-fluoronaphthalen-2-yl)-1,3-thiazole-5-carboxylic acid?
2-(4-cyano-5-fluoronaphthalen-2-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-5-fluoronaphthalen-2-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 58409519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).