ethyl 5-(3-fluorophenoxy)-1,3,4-thiadiazole-2-carboxylate

C11H9FN2O3S — CID 80612155

IUPACethyl 5-(3-fluorophenoxy)-1,3,4-thiadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(Oc2cccc(F)c2)s1
InChIInChI=1S/C11H9FN2O3S/c1-2-16-10(15)9-13-14-11(18-9)17-8-5-3-4-7(12)6-8/h3-6H,2H2,1H3
InChIKeyGMHGJZXHSQLWHF-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.65
Rot. Bonds4

About ethyl 5-(3-fluorophenoxy)-1,3,4-thiadiazole-2-carboxylate

ethyl 5-(3-fluorophenoxy)-1,3,4-thiadiazole-2-carboxylate (PubChem CID 80612155) has the molecular formula C11H9FN2O3S and a molecular weight of 268.27 g/mol. Its IUPAC name is ethyl 5-(3-fluorophenoxy)-1,3,4-thiadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-fluorophenoxy)-1,3,4-thiadiazole-2-carboxylate
PubChem CID80612155
Molecular FormulaC11H9FN2O3S
Molecular Weight268.27 g/mol
Exact Mass268.03
IUPAC Nameethyl 5-(3-fluorophenoxy)-1,3,4-thiadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(Oc2cccc(F)c2)s1
InChIInChI=1S/C11H9FN2O3S/c1-2-16-10(15)9-13-14-11(18-9)17-8-5-3-4-7(12)6-8/h3-6H,2H2,1H3
InChIKeyGMHGJZXHSQLWHF-UHFFFAOYSA-N
XLogP2.65
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(3-methylphenoxy)-1,3,4-thiadiazole-2-carboxylate
CID 80612799
ethyl 5-(3-propan-2-ylphenoxy)-1,3,4-thiadiazole-2-carboxylate
CID 80613132
ethyl 5-(4-tert-butylphenoxy)-1,3,4-thiadiazole-2-carboxylate
CID 80610282
ethyl 5-(2-methoxy-4-methylphenoxy)-1,3,4-thiadiazole-2-carboxylate
CID 80612559
1-[5-(3-fluorophenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 80620026
ethyl 5-[2-[(E)-prop-1-enyl]phenoxy]-1,3,4-thiadiazole-2-carboxylate
CID 80605907
2-(3-fluorophenoxy)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 53215227
N-[[5-(3-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 80619929
ethyl 5-[(2-methylpropan-2-yl)oxy]-1,3,4-thiadiazole-2-carboxylate
CID 80604960
ethyl 5-(thiophen-2-ylmethoxy)-1,3,4-thiadiazole-2-carboxylate
CID 80605668
ethyl 2-bromo-4-(3-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 131867352
ethyl 2-fluoro-2-(3-fluorophenoxy)acetate
CID 79356645

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-fluorophenoxy)-1,3,4-thiadiazole-2-carboxylate?
The IUPAC name of ethyl 5-(3-fluorophenoxy)-1,3,4-thiadiazole-2-carboxylate (CID 80612155) is ethyl 5-(3-fluorophenoxy)-1,3,4-thiadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(3-fluorophenoxy)-1,3,4-thiadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-(3-fluorophenoxy)-1,3,4-thiadiazole-2-carboxylate is CCOC(=O)c1nnc(Oc2cccc(F)c2)s1.
What is the InChIKey of ethyl 5-(3-fluorophenoxy)-1,3,4-thiadiazole-2-carboxylate?
The InChIKey is GMHGJZXHSQLWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3S/c1-2-16-10(15)9-13-14-11(18-9)17-8-5-3-4-7(12)6-8/h3-6H,2H2,1H3.
What are the key properties of ethyl 5-(3-fluorophenoxy)-1,3,4-thiadiazole-2-carboxylate?
ethyl 5-(3-fluorophenoxy)-1,3,4-thiadiazole-2-carboxylate has a molecular weight of 268.27 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-fluorophenoxy)-1,3,4-thiadiazole-2-carboxylate is sourced from PubChem (CID 80612155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).