2,4-difluoro-N-[2-oxo-2-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide

C16H18F2N4O2S — CID 24668133

IUPAC2,4-difluoro-N-[2-oxo-2-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide
SMILESCCC(CC)c1nnc(NC(=O)CNC(=O)c2ccc(F)cc2F)s1
InChIInChI=1S/C16H18F2N4O2S/c1-3-9(4-2)15-21-22-16(25-15)20-13(23)8-19-14(24)11-6-5-10(17)7-12(11)18/h5-7,9H,3-4,8H2,1-2H3,(H,19,24)(H,20,22,23)
InChIKeyKOOXQOSDSMETRX-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.09
Rot. Bonds7

About 2,4-difluoro-N-[2-oxo-2-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide

2,4-difluoro-N-[2-oxo-2-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide (PubChem CID 24668133) has the molecular formula C16H18F2N4O2S and a molecular weight of 368.41 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-oxo-2-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-oxo-2-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide
PubChem CID24668133
Molecular FormulaC16H18F2N4O2S
Molecular Weight368.41 g/mol
Exact Mass368.11
IUPAC Name2,4-difluoro-N-[2-oxo-2-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide
SMILESCCC(CC)c1nnc(NC(=O)CNC(=O)c2ccc(F)cc2F)s1
InChIInChI=1S/C16H18F2N4O2S/c1-3-9(4-2)15-21-22-16(25-15)20-13(23)8-19-14(24)11-6-5-10(17)7-12(11)18/h5-7,9H,3-4,8H2,1-2H3,(H,19,24)(H,20,22,23)
InChIKeyKOOXQOSDSMETRX-UHFFFAOYSA-N
XLogP3.09
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,4-difluoro-N-[2-oxo-2-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide with MolForge

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Related Compounds

4-fluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086860
2-(3-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 18076264
3,4-difluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 18194623
2-(3-fluorophenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 2675897
N-[3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 18229970
2-(3-bromo-4-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 52691876
2,4-difluoro-N-[3-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 55818493
2,4-difluoro-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 24597030
2,4-difluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109760
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1086879
4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675853
3-[(4-fluorophenyl)sulfonylamino]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 17192257

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-oxo-2-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-oxo-2-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide (CID 24668133) is 2,4-difluoro-N-[2-oxo-2-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-oxo-2-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-oxo-2-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide is CCC(CC)c1nnc(NC(=O)CNC(=O)c2ccc(F)cc2F)s1.
What is the InChIKey of 2,4-difluoro-N-[2-oxo-2-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide?
The InChIKey is KOOXQOSDSMETRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O2S/c1-3-9(4-2)15-21-22-16(25-15)20-13(23)8-19-14(24)11-6-5-10(17)7-12(11)18/h5-7,9H,3-4,8H2,1-2H3,(H,19,24)(H,20,22,23).
What are the key properties of 2,4-difluoro-N-[2-oxo-2-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide?
2,4-difluoro-N-[2-oxo-2-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide has a molecular weight of 368.41 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-oxo-2-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide is sourced from PubChem (CID 24668133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).