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

C10H8FN3OS — CID 838742

IUPAC2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccccc2F)s1
InChIInChI=1S/C10H8FN3OS/c1-6-13-14-10(16-6)12-9(15)7-4-2-3-5-8(7)11/h2-5H,1H3,(H,12,14,15)
InChIKeyVOCGBNQZWSARTO-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.24
Rot. Bonds2

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

2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 838742) has the molecular formula C10H8FN3OS and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID838742
Molecular FormulaC10H8FN3OS
Molecular Weight237.26 g/mol
Exact Mass237.04
IUPAC Name2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccccc2F)s1
InChIInChI=1S/C10H8FN3OS/c1-6-13-14-10(16-6)12-9(15)7-4-2-3-5-8(7)11/h2-5H,1H3,(H,12,14,15)
InChIKeyVOCGBNQZWSARTO-UHFFFAOYSA-N
XLogP2.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 838742) is 2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2ccccc2F)s1.
What is the InChIKey of 2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is VOCGBNQZWSARTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3OS/c1-6-13-14-10(16-6)12-9(15)7-4-2-3-5-8(7)11/h2-5H,1H3,(H,12,14,15).
What are the key properties of 2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 237.26 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 838742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).