5-(3-methylphenyl)-1,2,4-thiadiazole-3-carboxylic acid

C10H8N2O2S — CID 83889371

IUPAC5-(3-methylphenyl)-1,2,4-thiadiazole-3-carboxylic acid
SMILESCc1cccc(-c2nc(C(=O)O)ns2)c1
InChIInChI=1S/C10H8N2O2S/c1-6-3-2-4-7(5-6)9-11-8(10(13)14)12-15-9/h2-5H,1H3,(H,13,14)
InChIKeyUXXNIHCBUBELHQ-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.21
Rot. Bonds2

About 5-(3-methylphenyl)-1,2,4-thiadiazole-3-carboxylic acid

5-(3-methylphenyl)-1,2,4-thiadiazole-3-carboxylic acid (PubChem CID 83889371) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 5-(3-methylphenyl)-1,2,4-thiadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-methylphenyl)-1,2,4-thiadiazole-3-carboxylic acid
PubChem CID83889371
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name5-(3-methylphenyl)-1,2,4-thiadiazole-3-carboxylic acid
SMILESCc1cccc(-c2nc(C(=O)O)ns2)c1
InChIInChI=1S/C10H8N2O2S/c1-6-3-2-4-7(5-6)9-11-8(10(13)14)12-15-9/h2-5H,1H3,(H,13,14)
InChIKeyUXXNIHCBUBELHQ-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

5-(3-methylphenyl)-3-phenyl-1,2,4-thiadiazole
CID 146169333
1-thiophen-2-ylethanamine;5-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazole-3-carboxylic acid
CID 162622063
5-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazole-3-carboxylate
CID 23365075
4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116887735
5-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 154810072
5-chloro-4-(3-methylphenyl)pyrimidine-2-carboxylic acid
CID 156842703
2-[3-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetic acid
CID 130250837
3,6-dimethyl-2-(3-methylphenyl)pyridine-4-carboxylic acid
CID 170962767
1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 64543607
2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
CID 4141935
4-(2-methylphenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 94970687
2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-2-oxoacetaldehyde
CID 12748654

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-1,2,4-thiadiazole-3-carboxylic acid?
The IUPAC name of 5-(3-methylphenyl)-1,2,4-thiadiazole-3-carboxylic acid (CID 83889371) is 5-(3-methylphenyl)-1,2,4-thiadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-methylphenyl)-1,2,4-thiadiazole-3-carboxylic acid?
The canonical SMILES for 5-(3-methylphenyl)-1,2,4-thiadiazole-3-carboxylic acid is Cc1cccc(-c2nc(C(=O)O)ns2)c1.
What is the InChIKey of 5-(3-methylphenyl)-1,2,4-thiadiazole-3-carboxylic acid?
The InChIKey is UXXNIHCBUBELHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c1-6-3-2-4-7(5-6)9-11-8(10(13)14)12-15-9/h2-5H,1H3,(H,13,14).
What are the key properties of 5-(3-methylphenyl)-1,2,4-thiadiazole-3-carboxylic acid?
5-(3-methylphenyl)-1,2,4-thiadiazole-3-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 5-(3-methylphenyl)-1,2,4-thiadiazole-3-carboxylic acid is sourced from PubChem (CID 83889371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).