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

C12H11F2N3OS — CID 9109760

IUPAC2,4-difluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCc1nnc(NC(=O)c2ccc(F)cc2F)s1
InChIInChI=1S/C12H11F2N3OS/c1-2-3-10-16-17-12(19-10)15-11(18)8-5-4-7(13)6-9(8)14/h4-6H,2-3H2,1H3,(H,15,17,18)
InChIKeyDNFZZWMUYVHVGF-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.02
Rot. Bonds4

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

2,4-difluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 9109760) has the molecular formula C12H11F2N3OS and a molecular weight of 283.30 g/mol. Its IUPAC name is 2,4-difluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID9109760
Molecular FormulaC12H11F2N3OS
Molecular Weight283.30 g/mol
Exact Mass283.06
IUPAC Name2,4-difluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCc1nnc(NC(=O)c2ccc(F)cc2F)s1
InChIInChI=1S/C12H11F2N3OS/c1-2-3-10-16-17-12(19-10)15-11(18)8-5-4-7(13)6-9(8)14/h4-6H,2-3H2,1H3,(H,15,17,18)
InChIKeyDNFZZWMUYVHVGF-UHFFFAOYSA-N
XLogP3.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4-trifluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 108808572
2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 18198071
2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78792564
2-amino-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 110485976
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
CID 7747528
4-fluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 86851557
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
CID 3926032
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
4-fluoro-2-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 103829678
N-[5-(cyclohexylmethylamino)-1,3,4-thiadiazol-2-yl]-2,4-difluorobenzamide
CID 510252
2,4-dinitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099815

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2,4-difluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (CID 9109760) is 2,4-difluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2,4-difluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2,4-difluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is CCCc1nnc(NC(=O)c2ccc(F)cc2F)s1.
What is the InChIKey of 2,4-difluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is DNFZZWMUYVHVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3OS/c1-2-3-10-16-17-12(19-10)15-11(18)8-5-4-7(13)6-9(8)14/h4-6H,2-3H2,1H3,(H,15,17,18).
What are the key properties of 2,4-difluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
2,4-difluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 283.30 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 9109760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).