4-(2-methylphenyl)thiadiazole-5-carboxylic acid

C10H8N2O2S — CID 65207542

IUPAC4-(2-methylphenyl)thiadiazole-5-carboxylic acid
SMILESCc1ccccc1-c1nnsc1C(=O)O
InChIInChI=1S/C10H8N2O2S/c1-6-4-2-3-5-7(6)8-9(10(13)14)15-12-11-8/h2-5H,1H3,(H,13,14)
InChIKeyAUUJRSSDFLCPAP-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.21
Rot. Bonds2

About 4-(2-methylphenyl)thiadiazole-5-carboxylic acid

4-(2-methylphenyl)thiadiazole-5-carboxylic acid (PubChem CID 65207542) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-(2-methylphenyl)thiadiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylphenyl)thiadiazole-5-carboxylic acid
PubChem CID65207542
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name4-(2-methylphenyl)thiadiazole-5-carboxylic acid
SMILESCc1ccccc1-c1nnsc1C(=O)O
InChIInChI=1S/C10H8N2O2S/c1-6-4-2-3-5-7(6)8-9(10(13)14)15-12-11-8/h2-5H,1H3,(H,13,14)
InChIKeyAUUJRSSDFLCPAP-UHFFFAOYSA-N
XLogP2.21
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethylphenyl)thiadiazole-5-carboxylic acid
CID 65207594
[4-(2-methylphenyl)thiadiazol-5-yl]methanol
CID 165486981
[(3aS,5S,7aR)-5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-[4-(2-methylphenyl)thiadiazol-5-yl]methanone
CID 136586611
4-(2-fluorophenyl)-2-(2-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 94970710
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-(2-methylphenyl)thiadiazole-5-carboxamide
CID 166362357
4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 28948361
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
4-(3-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 66489722
N-[(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]-4-(2-methylphenyl)thiadiazole-5-carboxamide
CID 154855059
4-(3-bromophenyl)thiadiazole-5-carboxylic acid
CID 65207487
4-(2-methylphenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 94970687
3-amino-5-(2-methylphenyl)thiophene-2-carboxylic acid
CID 83035559

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)thiadiazole-5-carboxylic acid?
The IUPAC name of 4-(2-methylphenyl)thiadiazole-5-carboxylic acid (CID 65207542) is 4-(2-methylphenyl)thiadiazole-5-carboxylic acid.
What is the SMILES notation for 4-(2-methylphenyl)thiadiazole-5-carboxylic acid?
The canonical SMILES for 4-(2-methylphenyl)thiadiazole-5-carboxylic acid is Cc1ccccc1-c1nnsc1C(=O)O.
What is the InChIKey of 4-(2-methylphenyl)thiadiazole-5-carboxylic acid?
The InChIKey is AUUJRSSDFLCPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c1-6-4-2-3-5-7(6)8-9(10(13)14)15-12-11-8/h2-5H,1H3,(H,13,14).
What are the key properties of 4-(2-methylphenyl)thiadiazole-5-carboxylic acid?
4-(2-methylphenyl)thiadiazole-5-carboxylic acid has a molecular weight of 220.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)thiadiazole-5-carboxylic acid is sourced from PubChem (CID 65207542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).