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

C18H14F5N3O4S — CID 175162231

IUPAC5-[3-(difluoromethoxy)phenyl]-N-(3-propoxy-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)furan-3-carboxamide
SMILESCCCOc1nsc(NC(=O)c2cc(-c3cccc(OC(F)F)c3)oc2C(F)(F)F)n1
InChIInChI=1S/C18H14F5N3O4S/c1-2-6-28-16-25-17(31-26-16)24-14(27)11-8-12(30-13(11)18(21,22)23)9-4-3-5-10(7-9)29-15(19)20/h3-5,7-8,15H,2,6H2,1H3,(H,24,25,26,27)
InChIKeyFTJHHIHDGKGJPP-UHFFFAOYSA-N
MW463.38 g/mol
LogP5.46
Rot. Bonds8

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

5-[3-(difluoromethoxy)phenyl]-N-(3-propoxy-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)furan-3-carboxamide (PubChem CID 175162231) has the molecular formula C18H14F5N3O4S and a molecular weight of 463.38 g/mol. Its IUPAC name is 5-[3-(difluoromethoxy)phenyl]-N-(3-propoxy-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)furan-3-carboxamide.

Molecular Properties

Compound Name5-[3-(difluoromethoxy)phenyl]-N-(3-propoxy-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)furan-3-carboxamide
PubChem CID175162231
Molecular FormulaC18H14F5N3O4S
Molecular Weight463.38 g/mol
Exact Mass463.06
IUPAC Name5-[3-(difluoromethoxy)phenyl]-N-(3-propoxy-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)furan-3-carboxamide
SMILESCCCOc1nsc(NC(=O)c2cc(-c3cccc(OC(F)F)c3)oc2C(F)(F)F)n1
InChIInChI=1S/C18H14F5N3O4S/c1-2-6-28-16-25-17(31-26-16)24-14(27)11-8-12(30-13(11)18(21,22)23)9-4-3-5-10(7-9)29-15(19)20/h3-5,7-8,15H,2,6H2,1H3,(H,24,25,26,27)
InChIKeyFTJHHIHDGKGJPP-UHFFFAOYSA-N
XLogP5.46
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.38
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethoxy)phenyl]-N-(3-propoxy-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)furan-3-carboxamide?
The IUPAC name of 5-[3-(difluoromethoxy)phenyl]-N-(3-propoxy-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)furan-3-carboxamide (CID 175162231) is 5-[3-(difluoromethoxy)phenyl]-N-(3-propoxy-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)furan-3-carboxamide.
What is the SMILES notation for 5-[3-(difluoromethoxy)phenyl]-N-(3-propoxy-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)furan-3-carboxamide?
The canonical SMILES for 5-[3-(difluoromethoxy)phenyl]-N-(3-propoxy-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)furan-3-carboxamide is CCCOc1nsc(NC(=O)c2cc(-c3cccc(OC(F)F)c3)oc2C(F)(F)F)n1.
What is the InChIKey of 5-[3-(difluoromethoxy)phenyl]-N-(3-propoxy-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)furan-3-carboxamide?
The InChIKey is FTJHHIHDGKGJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F5N3O4S/c1-2-6-28-16-25-17(31-26-16)24-14(27)11-8-12(30-13(11)18(21,22)23)9-4-3-5-10(7-9)29-15(19)20/h3-5,7-8,15H,2,6H2,1H3,(H,24,25,26,27).
What are the key properties of 5-[3-(difluoromethoxy)phenyl]-N-(3-propoxy-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)furan-3-carboxamide?
5-[3-(difluoromethoxy)phenyl]-N-(3-propoxy-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)furan-3-carboxamide has a molecular weight of 463.38 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethoxy)phenyl]-N-(3-propoxy-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)furan-3-carboxamide is sourced from PubChem (CID 175162231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).