3-[(4-fluorophenyl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide

C20H20FN3O2S — CID 24647665

IUPAC3-[(4-fluorophenyl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCC(C)Cc1nnc(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)s1
InChIInChI=1S/C20H20FN3O2S/c1-13(2)10-18-23-24-20(27-18)22-19(25)15-4-3-5-17(11-15)26-12-14-6-8-16(21)9-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,22,24,25)
InChIKeyNSICOCIEGSXEDS-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.71
Rot. Bonds7

About 3-[(4-fluorophenyl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide

3-[(4-fluorophenyl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 24647665) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID24647665
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name3-[(4-fluorophenyl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCC(C)Cc1nnc(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)s1
InChIInChI=1S/C20H20FN3O2S/c1-13(2)10-18-23-24-20(27-18)22-19(25)15-4-3-5-17(11-15)26-12-14-6-8-16(21)9-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,22,24,25)
InChIKeyNSICOCIEGSXEDS-UHFFFAOYSA-N
XLogP4.71
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 4639228
3-acetamido-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 51148570
3-[(4-fluorophenyl)methoxy]-N-(3-methylbutan-2-yl)benzamide
CID 43035024
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 31857522
N-[2-[5-[(4-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide
CID 17193199
4-methyl-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 858227
3-methoxy-4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 51228862
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-ethoxybenzamide
CID 108801746
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-indole-5-carboxamide
CID 104938281
4-fluoro-2-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 103829678
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 26068513
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 3-[(4-fluorophenyl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 24647665) is 3-[(4-fluorophenyl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 3-[(4-fluorophenyl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide is CC(C)Cc1nnc(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)s1.
What is the InChIKey of 3-[(4-fluorophenyl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is NSICOCIEGSXEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-13(2)10-18-23-24-20(27-18)22-19(25)15-4-3-5-17(11-15)26-12-14-6-8-16(21)9-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,22,24,25).
What are the key properties of 3-[(4-fluorophenyl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
3-[(4-fluorophenyl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 385.46 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 24647665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).