4-ethyl-N-(3-fluorophenyl)thiadiazole-5-carboxamide

C11H10FN3OS — CID 39966179

IUPAC4-ethyl-N-(3-fluorophenyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C11H10FN3OS/c1-2-9-10(17-15-14-9)11(16)13-8-5-3-4-7(12)6-8/h3-6H,2H2,1H3,(H,13,16)
InChIKeyAEOJIKXQXAIOLD-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.49
Rot. Bonds3

About 4-ethyl-N-(3-fluorophenyl)thiadiazole-5-carboxamide

4-ethyl-N-(3-fluorophenyl)thiadiazole-5-carboxamide (PubChem CID 39966179) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-ethyl-N-(3-fluorophenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(3-fluorophenyl)thiadiazole-5-carboxamide
PubChem CID39966179
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC Name4-ethyl-N-(3-fluorophenyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C11H10FN3OS/c1-2-9-10(17-15-14-9)11(16)13-8-5-3-4-7(12)6-8/h3-6H,2H2,1H3,(H,13,16)
InChIKeyAEOJIKXQXAIOLD-UHFFFAOYSA-N
XLogP2.49
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-fluorophenyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(3-fluorophenyl)thiadiazole-5-carboxamide (CID 39966179) is 4-ethyl-N-(3-fluorophenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(3-fluorophenyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(3-fluorophenyl)thiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1cccc(F)c1.
What is the InChIKey of 4-ethyl-N-(3-fluorophenyl)thiadiazole-5-carboxamide?
The InChIKey is AEOJIKXQXAIOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c1-2-9-10(17-15-14-9)11(16)13-8-5-3-4-7(12)6-8/h3-6H,2H2,1H3,(H,13,16).
What are the key properties of 4-ethyl-N-(3-fluorophenyl)thiadiazole-5-carboxamide?
4-ethyl-N-(3-fluorophenyl)thiadiazole-5-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-fluorophenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 39966179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).