N-(3-propoxy-1,2,4-thiadiazol-5-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide

C17H14F3N3O3S — CID 175163049

IUPACN-(3-propoxy-1,2,4-thiadiazol-5-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
SMILESCCCOc1nsc(NC(=O)c2coc(-c3cccc(C(F)(F)F)c3)c2)n1
InChIInChI=1S/C17H14F3N3O3S/c1-2-6-25-15-22-16(27-23-15)21-14(24)11-8-13(26-9-11)10-4-3-5-12(7-10)17(18,19)20/h3-5,7-9H,2,6H2,1H3,(H,21,22,23,24)
InChIKeyGEHXKHPSONCHOB-UHFFFAOYSA-N
MW397.38 g/mol
LogP4.86
Rot. Bonds6

About N-(3-propoxy-1,2,4-thiadiazol-5-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide

N-(3-propoxy-1,2,4-thiadiazol-5-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide (PubChem CID 175163049) has the molecular formula C17H14F3N3O3S and a molecular weight of 397.38 g/mol. Its IUPAC name is N-(3-propoxy-1,2,4-thiadiazol-5-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-(3-propoxy-1,2,4-thiadiazol-5-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
PubChem CID175163049
Molecular FormulaC17H14F3N3O3S
Molecular Weight397.38 g/mol
Exact Mass397.07
IUPAC NameN-(3-propoxy-1,2,4-thiadiazol-5-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
SMILESCCCOc1nsc(NC(=O)c2coc(-c3cccc(C(F)(F)F)c3)c2)n1
InChIInChI=1S/C17H14F3N3O3S/c1-2-6-25-15-22-16(27-23-15)21-14(24)11-8-13(26-9-11)10-4-3-5-12(7-10)17(18,19)20/h3-5,7-9H,2,6H2,1H3,(H,21,22,23,24)
InChIKeyGEHXKHPSONCHOB-UHFFFAOYSA-N
XLogP4.86
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-methoxyphenyl)-N-(3-propoxy-1,2,4-thiadiazol-5-yl)furan-3-carboxamide
CID 175167906
5-(3-cyanophenyl)-N-(3-propoxy-1,2,4-thiadiazol-5-yl)furan-3-carboxamide
CID 175161167
5-[3-(difluoromethoxy)phenyl]-N-(3-propoxy-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)furan-3-carboxamide
CID 175162231
3,4,5-trifluoro-N-[3-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl]benzamide
CID 167825430
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 6484584
1-[5-[[2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carbonyl]amino]-1,2,4-thiadiazol-3-yl]propan-2-yl 4-methylbenzenesulfonate
CID 175169710
methyl 2-[3-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate
CID 55871510
4-methoxy-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide
CID 47045100
3-bromo-5-chloro-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 146094788
N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9120331
methyl 3-methyl-7-propoxy-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate
CID 67384427
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-3-propoxybenzamide
CID 35345895

Frequently Asked Questions

What is the IUPAC name of N-(3-propoxy-1,2,4-thiadiazol-5-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The IUPAC name of N-(3-propoxy-1,2,4-thiadiazol-5-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide (CID 175163049) is N-(3-propoxy-1,2,4-thiadiazol-5-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for N-(3-propoxy-1,2,4-thiadiazol-5-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The canonical SMILES for N-(3-propoxy-1,2,4-thiadiazol-5-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide is CCCOc1nsc(NC(=O)c2coc(-c3cccc(C(F)(F)F)c3)c2)n1.
What is the InChIKey of N-(3-propoxy-1,2,4-thiadiazol-5-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The InChIKey is GEHXKHPSONCHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3S/c1-2-6-25-15-22-16(27-23-15)21-14(24)11-8-13(26-9-11)10-4-3-5-12(7-10)17(18,19)20/h3-5,7-9H,2,6H2,1H3,(H,21,22,23,24).
What are the key properties of N-(3-propoxy-1,2,4-thiadiazol-5-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide?
N-(3-propoxy-1,2,4-thiadiazol-5-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide has a molecular weight of 397.38 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propoxy-1,2,4-thiadiazol-5-yl)-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 175163049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).