4-fluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide

C13H11F4N3OS — CID 86851557

IUPAC4-fluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide
SMILESCCCc1nnc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)s1
InChIInChI=1S/C13H11F4N3OS/c1-2-3-10-19-20-12(22-10)18-11(21)7-4-5-9(14)8(6-7)13(15,16)17/h4-6H,2-3H2,1H3,(H,18,20,21)
InChIKeyPVIPUSCIFSLFOI-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.90
Rot. Bonds4

About 4-fluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide

4-fluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide (PubChem CID 86851557) has the molecular formula C13H11F4N3OS and a molecular weight of 333.31 g/mol. Its IUPAC name is 4-fluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide
PubChem CID86851557
Molecular FormulaC13H11F4N3OS
Molecular Weight333.31 g/mol
Exact Mass333.06
IUPAC Name4-fluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide
SMILESCCCc1nnc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)s1
InChIInChI=1S/C13H11F4N3OS/c1-2-3-10-19-20-12(22-10)18-11(21)7-4-5-9(14)8(6-7)13(15,16)17/h4-6H,2-3H2,1H3,(H,18,20,21)
InChIKeyPVIPUSCIFSLFOI-UHFFFAOYSA-N
XLogP3.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 811235
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
2,3,4-trifluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 108808572
2,4-difluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109760
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 825355
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
CID 7747528
4-(difluoromethoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109400
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzamide
CID 26197220
2-amino-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 110451327
2-methyl-3-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide
CID 42916640
2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78792564

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide (CID 86851557) is 4-fluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide is CCCc1nnc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)s1.
What is the InChIKey of 4-fluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is PVIPUSCIFSLFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4N3OS/c1-2-3-10-19-20-12(22-10)18-11(21)7-4-5-9(14)8(6-7)13(15,16)17/h4-6H,2-3H2,1H3,(H,18,20,21).
What are the key properties of 4-fluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide?
4-fluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 333.31 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 86851557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).