5-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide

C12H11FN4O2S — CID 1499206

IUPAC5-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
SMILESNC(=O)c1nnsc1CC(=O)NCc1ccccc1F
InChIInChI=1S/C12H11FN4O2S/c13-8-4-2-1-3-7(8)6-15-10(18)5-9-11(12(14)19)16-17-20-9/h1-4H,5-6H2,(H2,14,19)(H,15,18)
InChIKeyYDEICCKEZHDYLK-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.63
Rot. Bonds5

About 5-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide

5-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide (PubChem CID 1499206) has the molecular formula C12H11FN4O2S and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
PubChem CID1499206
Molecular FormulaC12H11FN4O2S
Molecular Weight294.31 g/mol
Exact Mass294.06
IUPAC Name5-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
SMILESNC(=O)c1nnsc1CC(=O)NCc1ccccc1F
InChIInChI=1S/C12H11FN4O2S/c13-8-4-2-1-3-7(8)6-15-10(18)5-9-11(12(14)19)16-17-20-9/h1-4H,5-6H2,(H2,14,19)(H,15,18)
InChIKeyYDEICCKEZHDYLK-UHFFFAOYSA-N
XLogP0.63
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide
CID 18198095
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CID 110686999
3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119679706
N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide
CID 115139087
N-[(2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide
CID 8571246
3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 25497232
2-[(E)-[amino(dimethylamino)methylidene]amino]oxy-N-[(2-fluorophenyl)methyl]acetamide
CID 71848615
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-[(2-fluorophenyl)methyl]carbamoyl bromide
CID 115193660
6-fluoro-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496596
N-[(2-fluorophenyl)methyl]-2-naphthalen-2-ylacetamide
CID 8870478
N-[(2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604909

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide?
The IUPAC name of 5-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide (CID 1499206) is 5-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for 5-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide?
The canonical SMILES for 5-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide is NC(=O)c1nnsc1CC(=O)NCc1ccccc1F.
What is the InChIKey of 5-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide?
The InChIKey is YDEICCKEZHDYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2S/c13-8-4-2-1-3-7(8)6-15-10(18)5-9-11(12(14)19)16-17-20-9/h1-4H,5-6H2,(H2,14,19)(H,15,18).
What are the key properties of 5-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide?
5-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 1499206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).