N-(4-fluorophenyl)-5-oxo-1,2,4-dithiazole-3-carboxamide

C9H5FN2O2S2 — CID 12025376

IUPACN-(4-fluorophenyl)-5-oxo-1,2,4-dithiazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1nc(=O)ss1
InChIInChI=1S/C9H5FN2O2S2/c10-5-1-3-6(4-2-5)11-7(13)8-12-9(14)16-15-8/h1-4H,(H,11,13)
InChIKeyLUWWNLCIPKJYDF-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.96
Rot. Bonds2

About N-(4-fluorophenyl)-5-oxo-1,2,4-dithiazole-3-carboxamide

N-(4-fluorophenyl)-5-oxo-1,2,4-dithiazole-3-carboxamide (PubChem CID 12025376) has the molecular formula C9H5FN2O2S2 and a molecular weight of 256.28 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-oxo-1,2,4-dithiazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-oxo-1,2,4-dithiazole-3-carboxamide
PubChem CID12025376
Molecular FormulaC9H5FN2O2S2
Molecular Weight256.28 g/mol
Exact Mass255.98
IUPAC NameN-(4-fluorophenyl)-5-oxo-1,2,4-dithiazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1nc(=O)ss1
InChIInChI=1S/C9H5FN2O2S2/c10-5-1-3-6(4-2-5)11-7(13)8-12-9(14)16-15-8/h1-4H,(H,11,13)
InChIKeyLUWWNLCIPKJYDF-UHFFFAOYSA-N
XLogP1.96
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46318372
N-(4-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 5299224
2-N-(4-fluorophenyl)-5-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353728
N-(4-fluorophenyl)-4-hydroxy-6-oxo-1H-pyrimidine-5-carboxamide
CID 14478932
N-(4-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110756411
N-(4-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxamide
CID 69229250
N-(4-bromophenyl)-5-(4-fluorophenyl)-4-methylsulfonyl-1,3-thiazole-2-carboxamide
CID 22912053
N-(4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 110858632
N-(4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110858696
N-(4-fluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110858651
4-(4-fluorophenyl)-N-pyridin-4-ylbenzamide
CID 135137810
2-oxo-N-phenyl-3H-1,3,4-thiadiazole-5-carboxamide
CID 12025379

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-oxo-1,2,4-dithiazole-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-oxo-1,2,4-dithiazole-3-carboxamide (CID 12025376) is N-(4-fluorophenyl)-5-oxo-1,2,4-dithiazole-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-oxo-1,2,4-dithiazole-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-oxo-1,2,4-dithiazole-3-carboxamide is O=C(Nc1ccc(F)cc1)c1nc(=O)ss1.
What is the InChIKey of N-(4-fluorophenyl)-5-oxo-1,2,4-dithiazole-3-carboxamide?
The InChIKey is LUWWNLCIPKJYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN2O2S2/c10-5-1-3-6(4-2-5)11-7(13)8-12-9(14)16-15-8/h1-4H,(H,11,13).
What are the key properties of N-(4-fluorophenyl)-5-oxo-1,2,4-dithiazole-3-carboxamide?
N-(4-fluorophenyl)-5-oxo-1,2,4-dithiazole-3-carboxamide has a molecular weight of 256.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-oxo-1,2,4-dithiazole-3-carboxamide is sourced from PubChem (CID 12025376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).