N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide

C14H18N4O4S — CID 118716315

IUPACN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide
SMILESO=C(CCCCCCC(=O)Nc1nnc(-c2ccco2)s1)NO
InChIInChI=1S/C14H18N4O4S/c19-11(7-3-1-2-4-8-12(20)18-21)15-14-17-16-13(23-14)10-6-5-9-22-10/h5-6,9,21H,1-4,7-8H2,(H,18,20)(H,15,17,19)
InChIKeyGWGMHUBHPGVJDP-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.58
Rot. Bonds9

About N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide

N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide (PubChem CID 118716315) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide
PubChem CID118716315
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide
SMILESO=C(CCCCCCC(=O)Nc1nnc(-c2ccco2)s1)NO
InChIInChI=1S/C14H18N4O4S/c19-11(7-3-1-2-4-8-12(20)18-21)15-14-17-16-13(23-14)10-6-5-9-22-10/h5-6,9,21H,1-4,7-8H2,(H,18,20)(H,15,17,19)
InChIKeyGWGMHUBHPGVJDP-UHFFFAOYSA-N
XLogP2.58
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide (CID 118716315) is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide is O=C(CCCCCCC(=O)Nc1nnc(-c2ccco2)s1)NO.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide?
The InChIKey is GWGMHUBHPGVJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S/c19-11(7-3-1-2-4-8-12(20)18-21)15-14-17-16-13(23-14)10-6-5-9-22-10/h5-6,9,21H,1-4,7-8H2,(H,18,20)(H,15,17,19).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide?
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide has a molecular weight of 338.39 g/mol, XLogP of 2.58, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide is sourced from PubChem (CID 118716315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).