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

C11H10FN3OS — CID 115745910

IUPAC4-fluoro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESCc1nsc(NC(=O)c2ccc(F)cc2C)n1
InChIInChI=1S/C11H10FN3OS/c1-6-5-8(12)3-4-9(6)10(16)14-11-13-7(2)15-17-11/h3-5H,1-2H3,(H,13,14,15,16)
InChIKeyKLIQMTBPDLLFHH-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.55
Rot. Bonds2

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

4-fluoro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide (PubChem CID 115745910) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
PubChem CID115745910
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC Name4-fluoro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESCc1nsc(NC(=O)c2ccc(F)cc2C)n1
InChIInChI=1S/C11H10FN3OS/c1-6-5-8(12)3-4-9(6)10(16)14-11-13-7(2)15-17-11/h3-5H,1-2H3,(H,13,14,15,16)
InChIKeyKLIQMTBPDLLFHH-UHFFFAOYSA-N
XLogP2.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
CID 114035114
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-fluoro-2-methylbenzamide
CID 113400039
6-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 103718323
2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide
CID 115661242
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide
CID 115745693
4-bromo-2,6-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
CID 113253817
2,5-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide
CID 104705209
3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 91900874
2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
CID 103755613
2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide
CID 106854400
3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide
CID 115661259
4-fluoro-2-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 115745629

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide?
The IUPAC name of 4-fluoro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide (CID 115745910) is 4-fluoro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide is Cc1nsc(NC(=O)c2ccc(F)cc2C)n1.
What is the InChIKey of 4-fluoro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide?
The InChIKey is KLIQMTBPDLLFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c1-6-5-8(12)3-4-9(6)10(16)14-11-13-7(2)15-17-11/h3-5H,1-2H3,(H,13,14,15,16).
What are the key properties of 4-fluoro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide?
4-fluoro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide has a molecular weight of 251.29 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide is sourced from PubChem (CID 115745910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).