2-fluoro-N-[2-[(5-octyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide

C19H25FN4O2S — CID 55551720

IUPAC2-fluoro-N-[2-[(5-octyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide
SMILESCCCCCCCCc1nnc(NC(=O)CNC(=O)c2ccccc2F)s1
InChIInChI=1S/C19H25FN4O2S/c1-2-3-4-5-6-7-12-17-23-24-19(27-17)22-16(25)13-21-18(26)14-10-8-9-11-15(14)20/h8-11H,2-7,12-13H2,1H3,(H,21,26)(H,22,24,25)
InChIKeyNGCOAUZCLVLRLJ-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.95
Rot. Bonds11

About 2-fluoro-N-[2-[(5-octyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide

2-fluoro-N-[2-[(5-octyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide (PubChem CID 55551720) has the molecular formula C19H25FN4O2S and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-fluoro-N-[2-[(5-octyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[(5-octyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide
PubChem CID55551720
Molecular FormulaC19H25FN4O2S
Molecular Weight392.50 g/mol
Exact Mass392.17
IUPAC Name2-fluoro-N-[2-[(5-octyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide
SMILESCCCCCCCCc1nnc(NC(=O)CNC(=O)c2ccccc2F)s1
InChIInChI=1S/C19H25FN4O2S/c1-2-3-4-5-6-7-12-17-23-24-19(27-17)22-16(25)13-21-18(26)14-10-8-9-11-15(14)20/h8-11H,2-7,12-13H2,1H3,(H,21,26)(H,22,24,25)
InChIKeyNGCOAUZCLVLRLJ-UHFFFAOYSA-N
XLogP3.95
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[4-[2-[(5-octyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55718760
N-[2-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide
CID 24648115
N-(5-hexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 3099838
butane;3-fluoro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide
CID 169248406
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide
CID 17193600
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
CID 7747528
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-2-fluorobenzamide
CID 54787169
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 40535473
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-phenoxypropanamide
CID 35865392

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[(5-octyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[(5-octyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide (CID 55551720) is 2-fluoro-N-[2-[(5-octyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[(5-octyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[(5-octyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide is CCCCCCCCc1nnc(NC(=O)CNC(=O)c2ccccc2F)s1.
What is the InChIKey of 2-fluoro-N-[2-[(5-octyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is NGCOAUZCLVLRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2S/c1-2-3-4-5-6-7-12-17-23-24-19(27-17)22-16(25)13-21-18(26)14-10-8-9-11-15(14)20/h8-11H,2-7,12-13H2,1H3,(H,21,26)(H,22,24,25).
What are the key properties of 2-fluoro-N-[2-[(5-octyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide?
2-fluoro-N-[2-[(5-octyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 392.50 g/mol, XLogP of 3.95, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[(5-octyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55551720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).