5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide

C11H10F2N4OS — CID 107641297

IUPAC5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
SMILESCCc1nnc(NC(=O)c2cc(N)c(F)cc2F)s1
InChIInChI=1S/C11H10F2N4OS/c1-2-9-16-17-11(19-9)15-10(18)5-3-8(14)7(13)4-6(5)12/h3-4H,2,14H2,1H3,(H,15,17,18)
InChIKeyNXNFANJVLDEQLQ-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.21
Rot. Bonds3

About 5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide

5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide (PubChem CID 107641297) has the molecular formula C11H10F2N4OS and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
PubChem CID107641297
Molecular FormulaC11H10F2N4OS
Molecular Weight284.29 g/mol
Exact Mass284.05
IUPAC Name5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
SMILESCCc1nnc(NC(=O)c2cc(N)c(F)cc2F)s1
InChIInChI=1S/C11H10F2N4OS/c1-2-9-16-17-11(19-9)15-10(18)5-3-8(14)7(13)4-6(5)12/h3-4H,2,14H2,1H3,(H,15,17,18)
InChIKeyNXNFANJVLDEQLQ-UHFFFAOYSA-N
XLogP2.21
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 107641312
2-amino-3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82546737
2-amino-3-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 110451183
2,4-difluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109760
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide
CID 2475480
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-8-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
CID 43832096
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxynaphthalene-2-carboxamide
CID 25480929
3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 5168739
2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluorobenzamide
CID 113250709
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 110462181
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-hydrazinylpyridazine-3-carboxamide
CID 107643252
2-amino-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 110485976

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide?
The IUPAC name of 5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide (CID 107641297) is 5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide.
What is the SMILES notation for 5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide?
The canonical SMILES for 5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide is CCc1nnc(NC(=O)c2cc(N)c(F)cc2F)s1.
What is the InChIKey of 5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide?
The InChIKey is NXNFANJVLDEQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4OS/c1-2-9-16-17-11(19-9)15-10(18)5-3-8(14)7(13)4-6(5)12/h3-4H,2,14H2,1H3,(H,15,17,18).
What are the key properties of 5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide?
5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide has a molecular weight of 284.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide is sourced from PubChem (CID 107641297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).