2-(3-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone

C12H11BrN2OS — CID 105079140

IUPAC2-(3-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone
SMILESCCc1nnsc1C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C12H11BrN2OS/c1-2-10-12(17-15-14-10)11(16)7-8-4-3-5-9(13)6-8/h3-6H,2,7H2,1H3
InChIKeyHRWPYSPVRMQXBR-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.29
Rot. Bonds4

About 2-(3-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone

2-(3-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone (PubChem CID 105079140) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone
PubChem CID105079140
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC Name2-(3-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone
SMILESCCc1nnsc1C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C12H11BrN2OS/c1-2-10-12(17-15-14-10)11(16)7-8-4-3-5-9(13)6-8/h3-6H,2,7H2,1H3
InChIKeyHRWPYSPVRMQXBR-UHFFFAOYSA-N
XLogP3.29
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethylthiadiazol-5-yl)-2-thiophen-3-ylethanone
CID 105091135
2-(3-bromophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone
CID 105079147
2-(3-bromo-5-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanone
CID 105118151
N-[(3-bromophenyl)methyl]-N-methyl-4-propylthiadiazole-5-carboxamide
CID 65205282
1-(4-ethylthiadiazol-5-yl)-2-pyridin-2-ylethanone
CID 105108103
2-(2,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)ethanone
CID 105081673
2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone
CID 60797716
2-(3-bromophenyl)acetamide
CID 11736027
N-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 49172868
4-ethylthiadiazole-5-carboxamide
CID 45084470
2-(3-bromophenyl)acetate
CID 3608673
(3-bromothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanone
CID 105122356

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone?
The IUPAC name of 2-(3-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone (CID 105079140) is 2-(3-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(3-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(3-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone is CCc1nnsc1C(=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone?
The InChIKey is HRWPYSPVRMQXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c1-2-10-12(17-15-14-10)11(16)7-8-4-3-5-9(13)6-8/h3-6H,2,7H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone?
2-(3-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone has a molecular weight of 311.20 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 105079140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).