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

C10H8FN3O2S — CID 140916991

IUPACethyl 5-(3-fluoro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(-c2ncccc2F)s1
InChIInChI=1S/C10H8FN3O2S/c1-2-16-10(15)9-14-13-8(17-9)7-6(11)4-3-5-12-7/h3-5H,2H2,1H3
InChIKeyKQTZCUHHCUUOAL-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.92
Rot. Bonds3

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

ethyl 5-(3-fluoro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxylate (PubChem CID 140916991) has the molecular formula C10H8FN3O2S and a molecular weight of 253.26 g/mol. Its IUPAC name is ethyl 5-(3-fluoro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-fluoro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxylate
PubChem CID140916991
Molecular FormulaC10H8FN3O2S
Molecular Weight253.26 g/mol
Exact Mass253.03
IUPAC Nameethyl 5-(3-fluoro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(-c2ncccc2F)s1
InChIInChI=1S/C10H8FN3O2S/c1-2-16-10(15)9-14-13-8(17-9)7-6(11)4-3-5-12-7/h3-5H,2H2,1H3
InChIKeyKQTZCUHHCUUOAL-UHFFFAOYSA-N
XLogP1.92
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
ethyl 4-(3-fluoro-2-pyridinyl)naphthalene-1-carboxylate
CID 174669699
ethyl 5-(5-thiophen-2-ylthiophen-2-yl)-1,3,4-thiadiazole-2-carboxylate
CID 66647225
ethyl 5-(2-nitrophenyl)-1,3,4-thiadiazole-2-carboxylate
CID 66942453
ethyl 2-(2,4-difluorophenyl)pyridine-3-carboxylate
CID 21062877
ethyl 3-aminopyridine-2-carboxylate
CID 565054
ethyl 5-(3-fluorophenoxy)-1,3,4-thiadiazole-2-carboxylate
CID 80612155
ethane;ethyl 3-aminopyridine-2-carboxylate
CID 143635646
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
ethyl 7-fluoroquinoline-8-carboxylate
CID 71721095
ethyl 2,6-difluorobenzoate
CID 519631
ethyl 5-propan-2-yl-1,3,4-thiadiazole-2-carboxylate
CID 59459549

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-fluoro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxylate?
The IUPAC name of ethyl 5-(3-fluoro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxylate (CID 140916991) is ethyl 5-(3-fluoro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(3-fluoro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-(3-fluoro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxylate is CCOC(=O)c1nnc(-c2ncccc2F)s1.
What is the InChIKey of ethyl 5-(3-fluoro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxylate?
The InChIKey is KQTZCUHHCUUOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2S/c1-2-16-10(15)9-14-13-8(17-9)7-6(11)4-3-5-12-7/h3-5H,2H2,1H3.
What are the key properties of ethyl 5-(3-fluoro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxylate?
ethyl 5-(3-fluoro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxylate has a molecular weight of 253.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-fluoro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxylate is sourced from PubChem (CID 140916991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).