5-(methoxymethyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide

C17H25N3O3S — CID 78847354

IUPAC5-(methoxymethyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESCCCCCCCCc1nnc(NC(=O)c2ccc(COC)o2)s1
InChIInChI=1S/C17H25N3O3S/c1-3-4-5-6-7-8-9-15-19-20-17(24-15)18-16(21)14-11-10-13(23-14)12-22-2/h10-11H,3-9,12H2,1-2H3,(H,18,20,21)
InChIKeyVYILBBLQIWCDHS-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.43
Rot. Bonds11

About 5-(methoxymethyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide

5-(methoxymethyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide (PubChem CID 78847354) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
PubChem CID78847354
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name5-(methoxymethyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESCCCCCCCCc1nnc(NC(=O)c2ccc(COC)o2)s1
InChIInChI=1S/C17H25N3O3S/c1-3-4-5-6-7-8-9-15-19-20-17(24-15)18-16(21)14-11-10-13(23-14)12-22-2/h10-11H,3-9,12H2,1-2H3,(H,18,20,21)
InChIKeyVYILBBLQIWCDHS-UHFFFAOYSA-N
XLogP4.43
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099855
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551224
2,4,5-trimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8933648
2-(4-methoxyphenyl)-4-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 24667908
N-(5-octyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 166191053
2-(3,4-dimethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2208286
4-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099853
2-(2-methoxyethoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 60567241
5-acetyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 18089744
N-(5-hexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 3099838
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide
CID 31039084

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide (CID 78847354) is 5-(methoxymethyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide is CCCCCCCCc1nnc(NC(=O)c2ccc(COC)o2)s1.
What is the InChIKey of 5-(methoxymethyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The InChIKey is VYILBBLQIWCDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-3-4-5-6-7-8-9-15-19-20-17(24-15)18-16(21)14-11-10-13(23-14)12-22-2/h10-11H,3-9,12H2,1-2H3,(H,18,20,21).
What are the key properties of 5-(methoxymethyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
5-(methoxymethyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide has a molecular weight of 351.47 g/mol, XLogP of 4.43, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 78847354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).