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

C15H10FN3OS — CID 741029

IUPAC4-fluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1ccc(F)cc1
InChIInChI=1S/C15H10FN3OS/c16-12-8-6-10(7-9-12)13(20)17-15-19-18-14(21-15)11-4-2-1-3-5-11/h1-9H,(H,17,19,20)
InChIKeyIYOKSZDPCVQRAS-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.60
Rot. Bonds3

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

4-fluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 741029) has the molecular formula C15H10FN3OS and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-fluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID741029
Molecular FormulaC15H10FN3OS
Molecular Weight299.33 g/mol
Exact Mass299.05
IUPAC Name4-fluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1ccc(F)cc1
InChIInChI=1S/C15H10FN3OS/c16-12-8-6-10(7-9-12)13(20)17-15-19-18-14(21-15)11-4-2-1-3-5-11/h1-9H,(H,17,19,20)
InChIKeyIYOKSZDPCVQRAS-UHFFFAOYSA-N
XLogP3.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 821478
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
Bcr-abl Inhibitor II
CID 3320547
4-iodo-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 44412060
N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide
CID 816787
3-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3669135
2-iodo-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1097674
N-(5-Benzyl-[1,3,4]thiadiazol-2-yl)-3-methyl-benzamide
CID 832881
2-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 878365
3-fluoro-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 3152692
2-fluoro-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3733180
N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 16188869

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (CID 741029) is 4-fluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is IYOKSZDPCVQRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3OS/c16-12-8-6-10(7-9-12)13(20)17-15-19-18-14(21-15)11-4-2-1-3-5-11/h1-9H,(H,17,19,20).
What are the key properties of 4-fluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
4-fluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 299.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 741029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).