N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide

C17H17N3O3S — CID 645554

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc(COc3ccc(C)cc3)o2)s1
InChIInChI=1S/C17H17N3O3S/c1-3-15-19-20-17(24-15)18-16(21)14-9-8-13(23-14)10-22-12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3,(H,18,20,21)
InChIKeyCNLKILKNPKLNSD-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.83
Rot. Bonds6

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide (PubChem CID 645554) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
PubChem CID645554
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc(COc3ccc(C)cc3)o2)s1
InChIInChI=1S/C17H17N3O3S/c1-3-15-19-20-17(24-15)18-16(21)14-9-8-13(23-14)10-22-12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3,(H,18,20,21)
InChIKeyCNLKILKNPKLNSD-UHFFFAOYSA-N
XLogP3.83
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 744744
N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 5336169
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 5930483
N-(5-((2,4-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 659708
N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 672445
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 684730
N-(5-(p-tolyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 695191
N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 733781
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 795340
N-[5-(1-propylbutyl)-1,3,4-thiadiazol-2-yl]-2-furamide
CID 976184
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 1250258
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 6492571

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide (CID 645554) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide is CCc1nnc(NC(=O)c2ccc(COc3ccc(C)cc3)o2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is CNLKILKNPKLNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-3-15-19-20-17(24-15)18-16(21)14-9-8-13(23-14)10-22-12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3,(H,18,20,21).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 645554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).