2,3,4,5,6-pentafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

C10H4F5N3OS — CID 2164196

IUPAC2,3,4,5,6-pentafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)s1
InChIInChI=1S/C10H4F5N3OS/c1-2-17-18-10(20-2)16-9(19)3-4(11)6(13)8(15)7(14)5(3)12/h1H3,(H,16,18,19)
InChIKeyFXHQYTMYNYBDPH-UHFFFAOYSA-N
MW309.22 g/mol
LogP2.79
Rot. Bonds2

About 2,3,4,5,6-pentafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

2,3,4,5,6-pentafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 2164196) has the molecular formula C10H4F5N3OS and a molecular weight of 309.22 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID2164196
Molecular FormulaC10H4F5N3OS
Molecular Weight309.22 g/mol
Exact Mass309.00
IUPAC Name2,3,4,5,6-pentafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)s1
InChIInChI=1S/C10H4F5N3OS/c1-2-17-18-10(20-2)16-9(19)3-4(11)6(13)8(15)7(14)5(3)12/h1H3,(H,16,18,19)
InChIKeyFXHQYTMYNYBDPH-UHFFFAOYSA-N
XLogP2.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
3-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3669135
2-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 878365
2-fluoro-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3733180
N-(5-Methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 569553
N-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 569481
N-(5-Ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 569586
2,6-difluoro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 330490
4-fluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 741029
2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 838742
2,6-difluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 4128371
N-(5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
CID 665663

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 2164196) is 2,3,4,5,6-pentafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)s1.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is FXHQYTMYNYBDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F5N3OS/c1-2-17-18-10(20-2)16-9(19)3-4(11)6(13)8(15)7(14)5(3)12/h1H3,(H,16,18,19).
What are the key properties of 2,3,4,5,6-pentafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
2,3,4,5,6-pentafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 309.22 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 2164196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).