ethyl 5-(fluoromethyl)-2-phenyl-1,3-thiazole-4-carboxylate

C13H12FNO2S — CID 141213416

IUPACethyl 5-(fluoromethyl)-2-phenyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2)sc1CF
InChIInChI=1S/C13H12FNO2S/c1-2-17-13(16)11-10(8-14)18-12(15-11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyIFUGCTBVHYVOPC-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.46
Rot. Bonds4

About ethyl 5-(fluoromethyl)-2-phenyl-1,3-thiazole-4-carboxylate

ethyl 5-(fluoromethyl)-2-phenyl-1,3-thiazole-4-carboxylate (PubChem CID 141213416) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 5-(fluoromethyl)-2-phenyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(fluoromethyl)-2-phenyl-1,3-thiazole-4-carboxylate
PubChem CID141213416
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Nameethyl 5-(fluoromethyl)-2-phenyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2)sc1CF
InChIInChI=1S/C13H12FNO2S/c1-2-17-13(16)11-10(8-14)18-12(15-11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyIFUGCTBVHYVOPC-UHFFFAOYSA-N
XLogP3.46
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(fluoromethyl)-2-phenyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(fluoromethyl)-2-phenyl-1,3-thiazole-4-carboxylate (CID 141213416) is ethyl 5-(fluoromethyl)-2-phenyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(fluoromethyl)-2-phenyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(fluoromethyl)-2-phenyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(-c2ccccc2)sc1CF.
What is the InChIKey of ethyl 5-(fluoromethyl)-2-phenyl-1,3-thiazole-4-carboxylate?
The InChIKey is IFUGCTBVHYVOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-2-17-13(16)11-10(8-14)18-12(15-11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of ethyl 5-(fluoromethyl)-2-phenyl-1,3-thiazole-4-carboxylate?
ethyl 5-(fluoromethyl)-2-phenyl-1,3-thiazole-4-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(fluoromethyl)-2-phenyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 141213416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).