4-(3-bromophenyl)thiadiazole-5-carboxylic acid

C9H5BrN2O2S — CID 65207487

IUPAC4-(3-bromophenyl)thiadiazole-5-carboxylic acid
SMILESO=C(O)c1snnc1-c1cccc(Br)c1
InChIInChI=1S/C9H5BrN2O2S/c10-6-3-1-2-5(4-6)7-8(9(13)14)15-12-11-7/h1-4H,(H,13,14)
InChIKeyOAEDSIAASKXXQY-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.67
Rot. Bonds2

About 4-(3-bromophenyl)thiadiazole-5-carboxylic acid

4-(3-bromophenyl)thiadiazole-5-carboxylic acid (PubChem CID 65207487) has the molecular formula C9H5BrN2O2S and a molecular weight of 285.12 g/mol. Its IUPAC name is 4-(3-bromophenyl)thiadiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(3-bromophenyl)thiadiazole-5-carboxylic acid
PubChem CID65207487
Molecular FormulaC9H5BrN2O2S
Molecular Weight285.12 g/mol
Exact Mass283.93
IUPAC Name4-(3-bromophenyl)thiadiazole-5-carboxylic acid
SMILESO=C(O)c1snnc1-c1cccc(Br)c1
InChIInChI=1S/C9H5BrN2O2S/c10-6-3-1-2-5(4-6)7-8(9(13)14)15-12-11-7/h1-4H,(H,13,14)
InChIKeyOAEDSIAASKXXQY-UHFFFAOYSA-N
XLogP2.67
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 66489722
4-(3,4-dimethylphenyl)thiadiazole-5-carboxylic acid
CID 65207594
4-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 82226681
5,6-bis(3-bromophenyl)pyrazine-2,3-dicarboxylic acid
CID 132588495
[4-(3-bromophenyl)thiadiazol-5-yl]methanamine
CID 65209053
4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 28948361
3-(3-bromophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid
CID 82489335
N-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747027
4-(2-methylphenyl)thiadiazole-5-carboxylic acid
CID 65207542
4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid
CID 82304699
4-bromo-3-(3-bromophenyl)-1H-pyrazole-5-carboxylic acid
CID 45496321
4-(4-bromophenyl)-N-(2,6-dimethylphenyl)thiadiazole-5-carboxamide
CID 100750600

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)thiadiazole-5-carboxylic acid?
The IUPAC name of 4-(3-bromophenyl)thiadiazole-5-carboxylic acid (CID 65207487) is 4-(3-bromophenyl)thiadiazole-5-carboxylic acid.
What is the SMILES notation for 4-(3-bromophenyl)thiadiazole-5-carboxylic acid?
The canonical SMILES for 4-(3-bromophenyl)thiadiazole-5-carboxylic acid is O=C(O)c1snnc1-c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)thiadiazole-5-carboxylic acid?
The InChIKey is OAEDSIAASKXXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN2O2S/c10-6-3-1-2-5(4-6)7-8(9(13)14)15-12-11-7/h1-4H,(H,13,14).
What are the key properties of 4-(3-bromophenyl)thiadiazole-5-carboxylic acid?
4-(3-bromophenyl)thiadiazole-5-carboxylic acid has a molecular weight of 285.12 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)thiadiazole-5-carboxylic acid is sourced from PubChem (CID 65207487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).