2-(3-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone

C13H13FN2OS — CID 105080628

IUPAC2-(3-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
SMILESCC(C)c1nnsc1C(=O)Cc1cccc(F)c1
InChIInChI=1S/C13H13FN2OS/c1-8(2)12-13(18-16-15-12)11(17)7-9-4-3-5-10(14)6-9/h3-6,8H,7H2,1-2H3
InChIKeyGUERFLSPOGKEHG-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.23
Rot. Bonds4

About 2-(3-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone

2-(3-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone (PubChem CID 105080628) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
PubChem CID105080628
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name2-(3-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
SMILESCC(C)c1nnsc1C(=O)Cc1cccc(F)c1
InChIInChI=1S/C13H13FN2OS/c1-8(2)12-13(18-16-15-12)11(17)7-9-4-3-5-10(14)6-9/h3-6,8H,7H2,1-2H3
InChIKeyGUERFLSPOGKEHG-UHFFFAOYSA-N
XLogP3.23
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
CID 105089373
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(3-fluorophenyl)ethanone
CID 116585635
N-[2-(3-fluorophenyl)ethyl]-4-methylthiadiazole-5-carboxamide
CID 9182267
1-(3-fluorophenyl)-3-hydroxy-4-methylpentan-2-one
CID 103455309
1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone
CID 82685528
1-(3-fluorophenyl)-4-methylhexan-2-one
CID 62622297
2-(3-fluorophenyl)-1-(3-methoxyphenyl)ethanone
CID 60797583
[(2R)-1-amino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8590359
2-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43419046
N-(2-chloropropyl)-2-(3-fluorophenyl)-N-methylacetamide
CID 63393863
2-(3-fluorophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110718186
2-(3-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 18076264

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone (CID 105080628) is 2-(3-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone is CC(C)c1nnsc1C(=O)Cc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone?
The InChIKey is GUERFLSPOGKEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-8(2)12-13(18-16-15-12)11(17)7-9-4-3-5-10(14)6-9/h3-6,8H,7H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone?
2-(3-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone has a molecular weight of 264.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 105080628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).