2-bromo-1-[4-(thiadiazol-4-yl)phenyl]ethanone

C10H7BrN2OS — CID 18353418

IUPAC2-bromo-1-[4-(thiadiazol-4-yl)phenyl]ethanone
SMILESO=C(CBr)c1ccc(-c2csnn2)cc1
InChIInChI=1S/C10H7BrN2OS/c11-5-10(14)8-3-1-7(2-4-8)9-6-15-13-12-9/h1-4,6H,5H2
InChIKeyOUPNVTGMKPEPNE-UHFFFAOYSA-N
MW283.15 g/mol
LogP2.78
Rot. Bonds3

About 2-bromo-1-[4-(thiadiazol-4-yl)phenyl]ethanone

2-bromo-1-[4-(thiadiazol-4-yl)phenyl]ethanone (PubChem CID 18353418) has the molecular formula C10H7BrN2OS and a molecular weight of 283.15 g/mol. Its IUPAC name is 2-bromo-1-[4-(thiadiazol-4-yl)phenyl]ethanone.

Molecular Properties

Compound Name2-bromo-1-[4-(thiadiazol-4-yl)phenyl]ethanone
PubChem CID18353418
Molecular FormulaC10H7BrN2OS
Molecular Weight283.15 g/mol
Exact Mass281.95
IUPAC Name2-bromo-1-[4-(thiadiazol-4-yl)phenyl]ethanone
SMILESO=C(CBr)c1ccc(-c2csnn2)cc1
InChIInChI=1S/C10H7BrN2OS/c11-5-10(14)8-3-1-7(2-4-8)9-6-15-13-12-9/h1-4,6H,5H2
InChIKeyOUPNVTGMKPEPNE-UHFFFAOYSA-N
XLogP2.78
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(1,2,3-Thiadiazol-4-yl)benzamide
CID 2739359
4-(1,2,3-Thiadiazol-4-yl)benzyl bromide
CID 2776454
Benzoyl thiadiazole
CID 105077773
Thiadiazol-4-yl-[4-(trifluoromethyl)phenyl]methanone
CID 105095603
(3-Fluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone
CID 107129945
(2,3-Difluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone
CID 107515138
4-(1,2,3-Thiadiazol-4-YL)benzoyl chloride
CID 2776452
4-(1,2,3-Thiadiazol-4-yl)benzaldehyde
CID 2776453
2-(Thiadiazol-4-yl)benzamide
CID 19912049
2-(Thiadiazol-4-yl)benzaldehyde
CID 20451954
1-[4-(1,2,3-Thiadiazol-4-yl)phenyl]ethanone
CID 59162024
2-Methyl-4-(thiadiazol-4-yl)benzamide
CID 67628632

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[4-(thiadiazol-4-yl)phenyl]ethanone?
The IUPAC name of 2-bromo-1-[4-(thiadiazol-4-yl)phenyl]ethanone (CID 18353418) is 2-bromo-1-[4-(thiadiazol-4-yl)phenyl]ethanone.
What is the SMILES notation for 2-bromo-1-[4-(thiadiazol-4-yl)phenyl]ethanone?
The canonical SMILES for 2-bromo-1-[4-(thiadiazol-4-yl)phenyl]ethanone is O=C(CBr)c1ccc(-c2csnn2)cc1.
What is the InChIKey of 2-bromo-1-[4-(thiadiazol-4-yl)phenyl]ethanone?
The InChIKey is OUPNVTGMKPEPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2OS/c11-5-10(14)8-3-1-7(2-4-8)9-6-15-13-12-9/h1-4,6H,5H2.
What are the key properties of 2-bromo-1-[4-(thiadiazol-4-yl)phenyl]ethanone?
2-bromo-1-[4-(thiadiazol-4-yl)phenyl]ethanone has a molecular weight of 283.15 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[4-(thiadiazol-4-yl)phenyl]ethanone is sourced from PubChem (CID 18353418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).