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

C12H12FN3OS — CID 18198095

IUPAC4-ethyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1ccccc1F
InChIInChI=1S/C12H12FN3OS/c1-2-10-11(18-16-15-10)12(17)14-7-8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3,(H,14,17)
InChIKeyFRGYMGSRWVIZDD-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.17
Rot. Bonds4

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

4-ethyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide (PubChem CID 18198095) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-ethyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide
PubChem CID18198095
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC Name4-ethyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1ccccc1F
InChIInChI=1S/C12H12FN3OS/c1-2-10-11(18-16-15-10)12(17)14-7-8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3,(H,14,17)
InChIKeyFRGYMGSRWVIZDD-UHFFFAOYSA-N
XLogP2.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[2-(2-fluorophenyl)ethyl]thiadiazole-5-carboxamide
CID 34729675
4-ethyl-N-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide
CID 24515338
N-[(4-aminophenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 65205922
N-[(3-amino-2-methylphenyl)methyl]-4-propylthiadiazole-5-carboxamide
CID 103110263
4-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 24668930
4-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide
CID 39966669
4-ethyl-N-[2-(methylamino)ethyl]thiadiazole-5-carboxamide
CID 65210280
5-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
CID 1499206
N-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 49172868
4-ethyl-N-(2-pyridin-3-ylethyl)thiadiazole-5-carboxamide
CID 30768888
4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
CID 65210223
N-[(2-fluorophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 110851153

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide (CID 18198095) is 4-ethyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCc1ccccc1F.
What is the InChIKey of 4-ethyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide?
The InChIKey is FRGYMGSRWVIZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c1-2-10-11(18-16-15-10)12(17)14-7-8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3,(H,14,17).
What are the key properties of 4-ethyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide?
4-ethyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 18198095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).