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

C15H9F2N3OS — CID 27991331

IUPAC3,4-difluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H9F2N3OS/c16-11-7-6-10(8-12(11)17)13(21)18-15-20-19-14(22-15)9-4-2-1-3-5-9/h1-8H,(H,18,20,21)
InChIKeyHKSSQTUMQGVMFI-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.74
Rot. Bonds3

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

3,4-difluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 27991331) has the molecular formula C15H9F2N3OS and a molecular weight of 317.32 g/mol. Its IUPAC name is 3,4-difluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID27991331
Molecular FormulaC15H9F2N3OS
Molecular Weight317.32 g/mol
Exact Mass317.04
IUPAC Name3,4-difluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H9F2N3OS/c16-11-7-6-10(8-12(11)17)13(21)18-15-20-19-14(22-15)9-4-2-1-3-5-9/h1-8H,(H,18,20,21)
InChIKeyHKSSQTUMQGVMFI-UHFFFAOYSA-N
XLogP3.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991309
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 18273975
4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 741034
6-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 27991303
3-methyl-N-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45020577
N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4222808
2-[[5-[(3,4-difluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 61284154
4-bromo-3-nitro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991511
3-nitro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 90462721
4-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenoxy]benzamide
CID 56548861
4-chloro-N-[5-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100645181
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 82176843

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3,4-difluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (CID 27991331) is 3,4-difluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is HKSSQTUMQGVMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N3OS/c16-11-7-6-10(8-12(11)17)13(21)18-15-20-19-14(22-15)9-4-2-1-3-5-9/h1-8H,(H,18,20,21).
What are the key properties of 3,4-difluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
3,4-difluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 317.32 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 27991331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).