fluoro 3-methyl-5-(1,3-thiazole-2-carbonyl)benzoate

C12H8FNO3S — CID 174649029

IUPACfluoro 3-methyl-5-(1,3-thiazole-2-carbonyl)benzoate
SMILESCc1cc(C(=O)OF)cc(C(=O)c2nccs2)c1
InChIInChI=1S/C12H8FNO3S/c1-7-4-8(6-9(5-7)12(16)17-13)10(15)11-14-2-3-18-11/h2-6H,1H3
InChIKeyGQHKXNCLXBFTQI-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.72
Rot. Bonds3

About fluoro 3-methyl-5-(1,3-thiazole-2-carbonyl)benzoate

fluoro 3-methyl-5-(1,3-thiazole-2-carbonyl)benzoate (PubChem CID 174649029) has the molecular formula C12H8FNO3S and a molecular weight of 265.26 g/mol. Its IUPAC name is fluoro 3-methyl-5-(1,3-thiazole-2-carbonyl)benzoate.

Molecular Properties

Compound Namefluoro 3-methyl-5-(1,3-thiazole-2-carbonyl)benzoate
PubChem CID174649029
Molecular FormulaC12H8FNO3S
Molecular Weight265.26 g/mol
Exact Mass265.02
IUPAC Namefluoro 3-methyl-5-(1,3-thiazole-2-carbonyl)benzoate
SMILESCc1cc(C(=O)OF)cc(C(=O)c2nccs2)c1
InChIInChI=1S/C12H8FNO3S/c1-7-4-8(6-9(5-7)12(16)17-13)10(15)11-14-2-3-18-11/h2-6H,1H3
InChIKeyGQHKXNCLXBFTQI-UHFFFAOYSA-N
XLogP2.72
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of fluoro 3-methyl-5-(1,3-thiazole-2-carbonyl)benzoate?
The IUPAC name of fluoro 3-methyl-5-(1,3-thiazole-2-carbonyl)benzoate (CID 174649029) is fluoro 3-methyl-5-(1,3-thiazole-2-carbonyl)benzoate.
What is the SMILES notation for fluoro 3-methyl-5-(1,3-thiazole-2-carbonyl)benzoate?
The canonical SMILES for fluoro 3-methyl-5-(1,3-thiazole-2-carbonyl)benzoate is Cc1cc(C(=O)OF)cc(C(=O)c2nccs2)c1.
What is the InChIKey of fluoro 3-methyl-5-(1,3-thiazole-2-carbonyl)benzoate?
The InChIKey is GQHKXNCLXBFTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO3S/c1-7-4-8(6-9(5-7)12(16)17-13)10(15)11-14-2-3-18-11/h2-6H,1H3.
What are the key properties of fluoro 3-methyl-5-(1,3-thiazole-2-carbonyl)benzoate?
fluoro 3-methyl-5-(1,3-thiazole-2-carbonyl)benzoate has a molecular weight of 265.26 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-methyl-5-(1,3-thiazole-2-carbonyl)benzoate is sourced from PubChem (CID 174649029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).