5-(4-fluorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide

C16H12FN3O3S — CID 1251286

IUPAC5-(4-fluorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide
SMILESCC(=O)Cc1nsc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)n1
InChIInChI=1S/C16H12FN3O3S/c1-9(21)8-14-18-16(24-20-14)19-15(22)13-7-6-12(23-13)10-2-4-11(17)5-3-10/h2-7H,8H2,1H3,(H,18,19,20,22)
InChIKeyLZLPOIFMTKGSMA-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.32
Rot. Bonds5

About 5-(4-fluorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide

5-(4-fluorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide (PubChem CID 1251286) has the molecular formula C16H12FN3O3S and a molecular weight of 345.36 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide
PubChem CID1251286
Molecular FormulaC16H12FN3O3S
Molecular Weight345.36 g/mol
Exact Mass345.06
IUPAC Name5-(4-fluorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide
SMILESCC(=O)Cc1nsc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)n1
InChIInChI=1S/C16H12FN3O3S/c1-9(21)8-14-18-16(24-20-14)19-15(22)13-7-6-12(23-13)10-2-4-11(17)5-3-10/h2-7H,8H2,1H3,(H,18,19,20,22)
InChIKeyLZLPOIFMTKGSMA-UHFFFAOYSA-N
XLogP3.32
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,4-dichlorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide
CID 2088903
5-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]furan-2-carbohydrazide
CID 31725805
methyl 3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate
CID 37351586
N-(2-amino-2-ethylbutyl)-5-(4-fluorophenyl)furan-2-carboxamide;hydrochloride
CID 119643079
5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 4290851
N-[2-[(dimethylamino)methyl]phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 31969106
N-(4-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 18871483
3,4,5-trimethoxy-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 53298075
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(methoxymethyl)furan-2-carboxamide
CID 78824534
1-[5-(4-fluorophenyl)furan-2-yl]propan-1-one
CID 62632212
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 8533422
N-[4-(cyanomethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 27163463

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide (CID 1251286) is 5-(4-fluorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide is CC(=O)Cc1nsc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)n1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide?
The InChIKey is LZLPOIFMTKGSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3S/c1-9(21)8-14-18-16(24-20-14)19-15(22)13-7-6-12(23-13)10-2-4-11(17)5-3-10/h2-7H,8H2,1H3,(H,18,19,20,22).
What are the key properties of 5-(4-fluorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide?
5-(4-fluorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 1251286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).