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

C10H7F2N3OS — CID 4128371

IUPAC2,6-difluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2c(F)cccc2F)s1
InChIInChI=1S/C10H7F2N3OS/c1-5-14-15-10(17-5)13-9(16)8-6(11)3-2-4-7(8)12/h2-4H,1H3,(H,13,15,16)
InChIKeyYLQLFBCXGSBKDK-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.38
Rot. Bonds2

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

2,6-difluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 4128371) has the molecular formula C10H7F2N3OS and a molecular weight of 255.25 g/mol. Its IUPAC name is 2,6-difluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID4128371
Molecular FormulaC10H7F2N3OS
Molecular Weight255.25 g/mol
Exact Mass255.03
IUPAC Name2,6-difluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2c(F)cccc2F)s1
InChIInChI=1S/C10H7F2N3OS/c1-5-14-15-10(17-5)13-9(16)8-6(11)3-2-4-7(8)12/h2-4H,1H3,(H,13,15,16)
InChIKeyYLQLFBCXGSBKDK-UHFFFAOYSA-N
XLogP2.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2,6-difluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 4128371) is 2,6-difluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2c(F)cccc2F)s1.
What is the InChIKey of 2,6-difluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is YLQLFBCXGSBKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3OS/c1-5-14-15-10(17-5)13-9(16)8-6(11)3-2-4-7(8)12/h2-4H,1H3,(H,13,15,16).
What are the key properties of 2,6-difluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
2,6-difluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 255.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 4128371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).