3-fluoro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide

C12H10FN3O2S — CID 2134770

IUPAC3-fluoro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
SMILESCC(=O)Cc1nsc(NC(=O)c2cccc(F)c2)n1
InChIInChI=1S/C12H10FN3O2S/c1-7(17)5-10-14-12(19-16-10)15-11(18)8-3-2-4-9(13)6-8/h2-4,6H,5H2,1H3,(H,14,15,16,18)
InChIKeyWBBOMEAHPGACFO-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.06
Rot. Bonds4

About 3-fluoro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide

3-fluoro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide (PubChem CID 2134770) has the molecular formula C12H10FN3O2S and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-fluoro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
PubChem CID2134770
Molecular FormulaC12H10FN3O2S
Molecular Weight279.30 g/mol
Exact Mass279.05
IUPAC Name3-fluoro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
SMILESCC(=O)Cc1nsc(NC(=O)c2cccc(F)c2)n1
InChIInChI=1S/C12H10FN3O2S/c1-7(17)5-10-14-12(19-16-10)15-11(18)8-3-2-4-9(13)6-8/h2-4,6H,5H2,1H3,(H,14,15,16,18)
InChIKeyWBBOMEAHPGACFO-UHFFFAOYSA-N
XLogP2.06
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-Phenyl-(1,2,4)thiadiazol-5-yl)-benzamide
CID 2241548
2,4-dichloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 2107779
4-fluoro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 752027
2-chloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 2134766
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
N-(5-amino-1,2,4-thiadiazol-3-yl)-4-fluorobenzamide
CID 3717918
4-fluoro-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
CID 2241556
N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 866934
4-Iodo-N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-benzamide
CID 10501538
4-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 47045406
2-fluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 972718

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide?
The IUPAC name of 3-fluoro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide (CID 2134770) is 3-fluoro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide is CC(=O)Cc1nsc(NC(=O)c2cccc(F)c2)n1.
What is the InChIKey of 3-fluoro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide?
The InChIKey is WBBOMEAHPGACFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2S/c1-7(17)5-10-14-12(19-16-10)15-11(18)8-3-2-4-9(13)6-8/h2-4,6H,5H2,1H3,(H,14,15,16,18).
What are the key properties of 3-fluoro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide?
3-fluoro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide has a molecular weight of 279.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide is sourced from PubChem (CID 2134770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).