(3-bromothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanone

C9H7BrN2OS2 — CID 105122356

IUPAC(3-bromothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1nnsc1C(=O)c1sccc1Br
InChIInChI=1S/C9H7BrN2OS2/c1-2-6-9(15-12-11-6)7(13)8-5(10)3-4-14-8/h3-4H,2H2,1H3
InChIKeyFLWZGCUBPAWVJF-UHFFFAOYSA-N
MW303.21 g/mol
LogP3.16
Rot. Bonds3

About (3-bromothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanone

(3-bromothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanone (PubChem CID 105122356) has the molecular formula C9H7BrN2OS2 and a molecular weight of 303.21 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanone
PubChem CID105122356
Molecular FormulaC9H7BrN2OS2
Molecular Weight303.21 g/mol
Exact Mass301.92
IUPAC Name(3-bromothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1nnsc1C(=O)c1sccc1Br
InChIInChI=1S/C9H7BrN2OS2/c1-2-6-9(15-12-11-6)7(13)8-5(10)3-4-14-8/h3-4H,2H2,1H3
InChIKeyFLWZGCUBPAWVJF-UHFFFAOYSA-N
XLogP3.16
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-bromothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanone 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

(3-bromofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanone
CID 105101724
2-(3-bromothiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanone
CID 105092769
4-ethylthiadiazole-5-carboxamide
CID 45084470
(4-ethylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methanone
CID 105097609
(2-chloro-5-fluorophenyl)-(4-ethylthiadiazol-5-yl)methanone
CID 105396788
(3,4-diethoxyphenyl)-(4-ethylthiadiazol-5-yl)methanone
CID 105096318
(4-ethylthiadiazol-5-yl)-(4-fluoro-2-methylphenyl)methanone
CID 105095763
2-(3-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone
CID 105079140
(3-bromo-5-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methanone
CID 65279746
1-(4-ethylthiadiazol-5-yl)-2-thiophen-3-ylethanone
CID 105091135
N-(1-aminopropan-2-yl)-3-bromo-N-methylthiophene-2-carboxamide;hydrochloride
CID 119583431
(3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 115805645

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanone?
The IUPAC name of (3-bromothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanone (CID 105122356) is (3-bromothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanone is CCc1nnsc1C(=O)c1sccc1Br.
What is the InChIKey of (3-bromothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanone?
The InChIKey is FLWZGCUBPAWVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2OS2/c1-2-6-9(15-12-11-6)7(13)8-5(10)3-4-14-8/h3-4H,2H2,1H3.
What are the key properties of (3-bromothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanone?
(3-bromothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanone has a molecular weight of 303.21 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanone is sourced from PubChem (CID 105122356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).