4-(3,4-dimethylphenyl)thiadiazole-5-carboxylic acid

C11H10N2O2S — CID 65207594

IUPAC4-(3,4-dimethylphenyl)thiadiazole-5-carboxylic acid
SMILESCc1ccc(-c2nnsc2C(=O)O)cc1C
InChIInChI=1S/C11H10N2O2S/c1-6-3-4-8(5-7(6)2)9-10(11(14)15)16-13-12-9/h3-5H,1-2H3,(H,14,15)
InChIKeyDEVDOYIAZGNLBA-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.52
Rot. Bonds2

About 4-(3,4-dimethylphenyl)thiadiazole-5-carboxylic acid

4-(3,4-dimethylphenyl)thiadiazole-5-carboxylic acid (PubChem CID 65207594) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)thiadiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)thiadiazole-5-carboxylic acid
PubChem CID65207594
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name4-(3,4-dimethylphenyl)thiadiazole-5-carboxylic acid
SMILESCc1ccc(-c2nnsc2C(=O)O)cc1C
InChIInChI=1S/C11H10N2O2S/c1-6-3-4-8(5-7(6)2)9-10(11(14)15)16-13-12-9/h3-5H,1-2H3,(H,14,15)
InChIKeyDEVDOYIAZGNLBA-UHFFFAOYSA-N
XLogP2.52
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 28948361
4-(3-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 66489722
4-(2-methylphenyl)thiadiazole-5-carboxylic acid
CID 65207542
4-(3-bromophenyl)thiadiazole-5-carboxylic acid
CID 65207487
2-[2-(dimethylamino)ethyl]-4-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82227648
2-[(dimethylamino)methyl]-4-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82227422
4-(3,4-dimethylphenyl)-2-(propanoylamino)-1,3-thiazole-5-carboxylic acid
CID 82226567
4-(3,4-dimethylphenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 82483307
3-(3,4-dimethylphenyl)-1,2,4-thiadiazole-5-carboxylic acid
CID 22229291
4-(3,4-dimethylphenyl)-6-methylpyrimidine-5-carboxylic acid
CID 82293374
4-(3,4-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 94970742
N-[[4-(3,4-dimethylphenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 65208956

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)thiadiazole-5-carboxylic acid?
The IUPAC name of 4-(3,4-dimethylphenyl)thiadiazole-5-carboxylic acid (CID 65207594) is 4-(3,4-dimethylphenyl)thiadiazole-5-carboxylic acid.
What is the SMILES notation for 4-(3,4-dimethylphenyl)thiadiazole-5-carboxylic acid?
The canonical SMILES for 4-(3,4-dimethylphenyl)thiadiazole-5-carboxylic acid is Cc1ccc(-c2nnsc2C(=O)O)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)thiadiazole-5-carboxylic acid?
The InChIKey is DEVDOYIAZGNLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-6-3-4-8(5-7(6)2)9-10(11(14)15)16-13-12-9/h3-5H,1-2H3,(H,14,15).
What are the key properties of 4-(3,4-dimethylphenyl)thiadiazole-5-carboxylic acid?
4-(3,4-dimethylphenyl)thiadiazole-5-carboxylic acid has a molecular weight of 234.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)thiadiazole-5-carboxylic acid is sourced from PubChem (CID 65207594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).