N-[3-(2-methoxypropyl)-1,2,4-thiadiazol-5-yl]-2-methyl-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide

C19H18F3N3O4S — CID 175165096

IUPACN-[3-(2-methoxypropyl)-1,2,4-thiadiazol-5-yl]-2-methyl-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide
SMILESCOC(C)Cc1nsc(NC(=O)c2cc(-c3cccc(OC(F)(F)F)c3)oc2C)n1
InChIInChI=1S/C19H18F3N3O4S/c1-10(27-3)7-16-23-18(30-25-16)24-17(26)14-9-15(28-11(14)2)12-5-4-6-13(8-12)29-19(20,21)22/h4-6,8-10H,7H2,1-3H3,(H,23,24,25,26)
InChIKeyYJJDSBUVZVXBNU-UHFFFAOYSA-N
MW441.43 g/mol
LogP4.83
Rot. Bonds7

About N-[3-(2-methoxypropyl)-1,2,4-thiadiazol-5-yl]-2-methyl-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide

N-[3-(2-methoxypropyl)-1,2,4-thiadiazol-5-yl]-2-methyl-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide (PubChem CID 175165096) has the molecular formula C19H18F3N3O4S and a molecular weight of 441.43 g/mol. Its IUPAC name is N-[3-(2-methoxypropyl)-1,2,4-thiadiazol-5-yl]-2-methyl-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxypropyl)-1,2,4-thiadiazol-5-yl]-2-methyl-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide
PubChem CID175165096
Molecular FormulaC19H18F3N3O4S
Molecular Weight441.43 g/mol
Exact Mass441.10
IUPAC NameN-[3-(2-methoxypropyl)-1,2,4-thiadiazol-5-yl]-2-methyl-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide
SMILESCOC(C)Cc1nsc(NC(=O)c2cc(-c3cccc(OC(F)(F)F)c3)oc2C)n1
InChIInChI=1S/C19H18F3N3O4S/c1-10(27-3)7-16-23-18(30-25-16)24-17(26)14-9-15(28-11(14)2)12-5-4-6-13(8-12)29-19(20,21)22/h4-6,8-10H,7H2,1-3H3,(H,23,24,25,26)
InChIKeyYJJDSBUVZVXBNU-UHFFFAOYSA-N
XLogP4.83
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide
CID 172559973
5-[3-(difluoromethoxy)phenyl]-N-(3-propoxy-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)furan-3-carboxamide
CID 175162231
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 6484584
methyl 5-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 154791532
N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-5-(3-methoxyphenyl)furan-2-carboxamide
CID 134710433
ethyl 5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxylate
CID 156881456
N-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 172559940
N-[4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 172559960
N-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 172559944
methyl 3-[5-(trifluoromethoxy)-1-benzofuran-2-yl]benzoate
CID 172603109
5-(3-methoxyphenyl)-N-(3-propoxy-1,2,4-thiadiazol-5-yl)furan-3-carboxamide
CID 175167906

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxypropyl)-1,2,4-thiadiazol-5-yl]-2-methyl-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide?
The IUPAC name of N-[3-(2-methoxypropyl)-1,2,4-thiadiazol-5-yl]-2-methyl-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide (CID 175165096) is N-[3-(2-methoxypropyl)-1,2,4-thiadiazol-5-yl]-2-methyl-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-(2-methoxypropyl)-1,2,4-thiadiazol-5-yl]-2-methyl-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide?
The canonical SMILES for N-[3-(2-methoxypropyl)-1,2,4-thiadiazol-5-yl]-2-methyl-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide is COC(C)Cc1nsc(NC(=O)c2cc(-c3cccc(OC(F)(F)F)c3)oc2C)n1.
What is the InChIKey of N-[3-(2-methoxypropyl)-1,2,4-thiadiazol-5-yl]-2-methyl-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide?
The InChIKey is YJJDSBUVZVXBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O4S/c1-10(27-3)7-16-23-18(30-25-16)24-17(26)14-9-15(28-11(14)2)12-5-4-6-13(8-12)29-19(20,21)22/h4-6,8-10H,7H2,1-3H3,(H,23,24,25,26).
What are the key properties of N-[3-(2-methoxypropyl)-1,2,4-thiadiazol-5-yl]-2-methyl-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide?
N-[3-(2-methoxypropyl)-1,2,4-thiadiazol-5-yl]-2-methyl-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide has a molecular weight of 441.43 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxypropyl)-1,2,4-thiadiazol-5-yl]-2-methyl-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide is sourced from PubChem (CID 175165096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).