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

C15H10FN3OS — CID 972718

IUPAC2-fluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)c1ccccc1F
InChIInChI=1S/C15H10FN3OS/c16-12-9-5-4-8-11(12)14(20)18-15-17-13(19-21-15)10-6-2-1-3-7-10/h1-9H,(H,17,18,19,20)
InChIKeyGKIAQBBXJJSRHJ-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.60
Rot. Bonds3

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

2-fluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide (PubChem CID 972718) has the molecular formula C15H10FN3OS and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-fluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
PubChem CID972718
Molecular FormulaC15H10FN3OS
Molecular Weight299.33 g/mol
Exact Mass299.05
IUPAC Name2-fluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)c1ccccc1F
InChIInChI=1S/C15H10FN3OS/c16-12-9-5-4-8-11(12)14(20)18-15-17-13(19-21-15)10-6-2-1-3-7-10/h1-9H,(H,17,18,19,20)
InChIKeyGKIAQBBXJJSRHJ-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-(3-Phenyl-(1,2,4)thiadiazol-5-yl)-benzamide
CID 2241548
N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 852344
3-fluoro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 2134770
N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 852345
2,2-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 4182197
2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 4182320
3-[3-[[2-(4-Fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-5-yl]benzamide
CID 70974923
3-[5-[[2-(4-Fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]benzamide
CID 70975178
4-[5-[[2-(4-Fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]benzamide
CID 70975227
4-fluoro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 752027
2-fluoro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 2134769
4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 2241546

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
The IUPAC name of 2-fluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide (CID 972718) is 2-fluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide is O=C(Nc1nc(-c2ccccc2)ns1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
The InChIKey is GKIAQBBXJJSRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3OS/c16-12-9-5-4-8-11(12)14(20)18-15-17-13(19-21-15)10-6-2-1-3-7-10/h1-9H,(H,17,18,19,20).
What are the key properties of 2-fluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
2-fluoro-N-(3-phenyl-1,2,4-thiadiazol-5-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 2-fluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide is sourced from PubChem (CID 972718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).