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

C9H6F2N4OS — CID 79512495

IUPACN-(5-amino-1,3,4-thiadiazol-2-yl)-2,5-difluorobenzamide
SMILESNc1nnc(NC(=O)c2cc(F)ccc2F)s1
InChIInChI=1S/C9H6F2N4OS/c10-4-1-2-6(11)5(3-4)7(16)13-9-15-14-8(12)17-9/h1-3H,(H2,12,14)(H,13,15,16)
InChIKeyIWIHCQRYTHQVIB-UHFFFAOYSA-N
MW256.24 g/mol
LogP1.65
Rot. Bonds2

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

N-(5-amino-1,3,4-thiadiazol-2-yl)-2,5-difluorobenzamide (PubChem CID 79512495) has the molecular formula C9H6F2N4OS and a molecular weight of 256.24 g/mol. Its IUPAC name is N-(5-amino-1,3,4-thiadiazol-2-yl)-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(5-amino-1,3,4-thiadiazol-2-yl)-2,5-difluorobenzamide
PubChem CID79512495
Molecular FormulaC9H6F2N4OS
Molecular Weight256.24 g/mol
Exact Mass256.02
IUPAC NameN-(5-amino-1,3,4-thiadiazol-2-yl)-2,5-difluorobenzamide
SMILESNc1nnc(NC(=O)c2cc(F)ccc2F)s1
InChIInChI=1S/C9H6F2N4OS/c10-4-1-2-6(11)5(3-4)7(16)13-9-15-14-8(12)17-9/h1-3H,(H2,12,14)(H,13,15,16)
InChIKeyIWIHCQRYTHQVIB-UHFFFAOYSA-N
XLogP1.65
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 115597803
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide
CID 17399738
N-(5-amino-1,3,4-thiadiazol-2-yl)-4,5-difluoro-2-nitrobenzamide
CID 79515712
N-(5-amino-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide
CID 79516243
N-benzo[e][1,3]benzothiazol-2-yl-2,5-difluorobenzamide
CID 27185560
N-(5-amino-1,3,4-thiadiazol-2-yl)-2,5-dimethylbenzamide
CID 79513275
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
CID 79516914
N-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2,5-difluorobenzamide
CID 108744401
N-(5-amino-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide
CID 79513455
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide
CID 79513071
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-bromofuran-3-carboxamide
CID 106856525
2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667765

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-2,5-difluorobenzamide?
The IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-2,5-difluorobenzamide (CID 79512495) is N-(5-amino-1,3,4-thiadiazol-2-yl)-2,5-difluorobenzamide.
What is the SMILES notation for N-(5-amino-1,3,4-thiadiazol-2-yl)-2,5-difluorobenzamide?
The canonical SMILES for N-(5-amino-1,3,4-thiadiazol-2-yl)-2,5-difluorobenzamide is Nc1nnc(NC(=O)c2cc(F)ccc2F)s1.
What is the InChIKey of N-(5-amino-1,3,4-thiadiazol-2-yl)-2,5-difluorobenzamide?
The InChIKey is IWIHCQRYTHQVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N4OS/c10-4-1-2-6(11)5(3-4)7(16)13-9-15-14-8(12)17-9/h1-3H,(H2,12,14)(H,13,15,16).
What are the key properties of N-(5-amino-1,3,4-thiadiazol-2-yl)-2,5-difluorobenzamide?
N-(5-amino-1,3,4-thiadiazol-2-yl)-2,5-difluorobenzamide has a molecular weight of 256.24 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,3,4-thiadiazol-2-yl)-2,5-difluorobenzamide is sourced from PubChem (CID 79512495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).