4-ethyl-N-[2-(2-fluorophenyl)ethyl]thiadiazole-5-carboxamide

C13H14FN3OS — CID 34729675

IUPAC4-ethyl-N-[2-(2-fluorophenyl)ethyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCCc1ccccc1F
InChIInChI=1S/C13H14FN3OS/c1-2-11-12(19-17-16-11)13(18)15-8-7-9-5-3-4-6-10(9)14/h3-6H,2,7-8H2,1H3,(H,15,18)
InChIKeyKUBAPDXYKQKQPB-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.21
Rot. Bonds5

About 4-ethyl-N-[2-(2-fluorophenyl)ethyl]thiadiazole-5-carboxamide

4-ethyl-N-[2-(2-fluorophenyl)ethyl]thiadiazole-5-carboxamide (PubChem CID 34729675) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-ethyl-N-[2-(2-fluorophenyl)ethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(2-fluorophenyl)ethyl]thiadiazole-5-carboxamide
PubChem CID34729675
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC Name4-ethyl-N-[2-(2-fluorophenyl)ethyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCCc1ccccc1F
InChIInChI=1S/C13H14FN3OS/c1-2-11-12(19-17-16-11)13(18)15-8-7-9-5-3-4-6-10(9)14/h3-6H,2,7-8H2,1H3,(H,15,18)
InChIKeyKUBAPDXYKQKQPB-UHFFFAOYSA-N
XLogP2.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide
CID 18198095
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4-ethyl-N-(2-pyridin-3-ylethyl)thiadiazole-5-carboxamide
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CID 78792118
4-amino-3-ethyl-N-[2-(2-fluorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 66123361
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106
N-[2-(2-fluorophenyl)ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
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N-[(4-aminophenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 65205922
N-[2-(2-fluorophenyl)ethyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392820

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(2-fluorophenyl)ethyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[2-(2-fluorophenyl)ethyl]thiadiazole-5-carboxamide (CID 34729675) is 4-ethyl-N-[2-(2-fluorophenyl)ethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-(2-fluorophenyl)ethyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-(2-fluorophenyl)ethyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCCc1ccccc1F.
What is the InChIKey of 4-ethyl-N-[2-(2-fluorophenyl)ethyl]thiadiazole-5-carboxamide?
The InChIKey is KUBAPDXYKQKQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-2-11-12(19-17-16-11)13(18)15-8-7-9-5-3-4-6-10(9)14/h3-6H,2,7-8H2,1H3,(H,15,18).
What are the key properties of 4-ethyl-N-[2-(2-fluorophenyl)ethyl]thiadiazole-5-carboxamide?
4-ethyl-N-[2-(2-fluorophenyl)ethyl]thiadiazole-5-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(2-fluorophenyl)ethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 34729675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).