methyl 5-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

C13H12FNO2S — CID 122476470

IUPACmethyl 5-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESCCc1sc(-c2ccc(F)cc2)nc1C(=O)OC
InChIInChI=1S/C13H12FNO2S/c1-3-10-11(13(16)17-2)15-12(18-10)8-4-6-9(14)7-5-8/h4-7H,3H2,1-2H3
InChIKeyWVPRFOGMZRFDRF-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.30
Rot. Bonds3

About methyl 5-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

methyl 5-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (PubChem CID 122476470) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 5-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
PubChem CID122476470
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Namemethyl 5-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESCCc1sc(-c2ccc(F)cc2)nc1C(=O)OC
InChIInChI=1S/C13H12FNO2S/c1-3-10-11(13(16)17-2)15-12(18-10)8-4-6-9(14)7-5-8/h4-7H,3H2,1-2H3
InChIKeyWVPRFOGMZRFDRF-UHFFFAOYSA-N
XLogP3.30
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (CID 122476470) is methyl 5-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is CCc1sc(-c2ccc(F)cc2)nc1C(=O)OC.
What is the InChIKey of methyl 5-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is WVPRFOGMZRFDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-3-10-11(13(16)17-2)15-12(18-10)8-4-6-9(14)7-5-8/h4-7H,3H2,1-2H3.
What are the key properties of methyl 5-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
methyl 5-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 122476470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).