2-(3-bromo-5-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanone

C13H12BrFN2OS — CID 105118151

IUPAC2-(3-bromo-5-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanone
SMILESCCCc1nnsc1C(=O)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C13H12BrFN2OS/c1-2-3-11-13(19-17-16-11)12(18)6-8-4-9(14)7-10(15)5-8/h4-5,7H,2-3,6H2,1H3
InChIKeyBVXUWXLALZHJIQ-UHFFFAOYSA-N
MW343.22 g/mol
LogP3.82
Rot. Bonds5

About 2-(3-bromo-5-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanone

2-(3-bromo-5-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanone (PubChem CID 105118151) has the molecular formula C13H12BrFN2OS and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanone
PubChem CID105118151
Molecular FormulaC13H12BrFN2OS
Molecular Weight343.22 g/mol
Exact Mass341.98
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanone
SMILESCCCc1nnsc1C(=O)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C13H12BrFN2OS/c1-2-3-11-13(19-17-16-11)12(18)6-8-4-9(14)7-10(15)5-8/h4-5,7H,2-3,6H2,1H3
InChIKeyBVXUWXLALZHJIQ-UHFFFAOYSA-N
XLogP3.82
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone
CID 105079140
2-(3-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 105118265
2-(3-bromothiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanone
CID 105092769
N-(2-bromo-6-chloro-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide
CID 107612541
2-(1-methyltriazol-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone
CID 107063006
2-(3-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanone
CID 79701233
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-propylthiadiazol-5-yl)ethanone
CID 105111680
2-(3-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanone
CID 107967710
1-(3-bromo-5-fluorophenyl)-3-methylbut-3-en-2-one
CID 103446397
2-(3-bromo-5-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 79701083
2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanone
CID 105118266
1-(3-bromo-5-fluorophenyl)-4-(4-methoxyphenyl)butan-2-one
CID 115786586

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanone?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanone (CID 105118151) is 2-(3-bromo-5-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanone is CCCc1nnsc1C(=O)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanone?
The InChIKey is BVXUWXLALZHJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2OS/c1-2-3-11-13(19-17-16-11)12(18)6-8-4-9(14)7-10(15)5-8/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanone?
2-(3-bromo-5-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanone has a molecular weight of 343.22 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 105118151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).