2-methyl-5-(thiadiazol-4-yl)benzoic acid

C10H8N2O2S — CID 174257420

IUPAC2-methyl-5-(thiadiazol-4-yl)benzoic acid
SMILESCc1ccc(-c2csnn2)cc1C(=O)O
InChIInChI=1S/C10H8N2O2S/c1-6-2-3-7(4-8(6)10(13)14)9-5-15-12-11-9/h2-5H,1H3,(H,13,14)
InChIKeyDEKXGHVBURYPLF-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.21
Rot. Bonds2

About 2-methyl-5-(thiadiazol-4-yl)benzoic acid

2-methyl-5-(thiadiazol-4-yl)benzoic acid (PubChem CID 174257420) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-methyl-5-(thiadiazol-4-yl)benzoic acid.

Molecular Properties

Compound Name2-methyl-5-(thiadiazol-4-yl)benzoic acid
PubChem CID174257420
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name2-methyl-5-(thiadiazol-4-yl)benzoic acid
SMILESCc1ccc(-c2csnn2)cc1C(=O)O
InChIInChI=1S/C10H8N2O2S/c1-6-2-3-7(4-8(6)10(13)14)9-5-15-12-11-9/h2-5H,1H3,(H,13,14)
InChIKeyDEKXGHVBURYPLF-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(thiadiazol-4-yl)benzoic acid?
The IUPAC name of 2-methyl-5-(thiadiazol-4-yl)benzoic acid (CID 174257420) is 2-methyl-5-(thiadiazol-4-yl)benzoic acid.
What is the SMILES notation for 2-methyl-5-(thiadiazol-4-yl)benzoic acid?
The canonical SMILES for 2-methyl-5-(thiadiazol-4-yl)benzoic acid is Cc1ccc(-c2csnn2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-(thiadiazol-4-yl)benzoic acid?
The InChIKey is DEKXGHVBURYPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c1-6-2-3-7(4-8(6)10(13)14)9-5-15-12-11-9/h2-5H,1H3,(H,13,14).
What are the key properties of 2-methyl-5-(thiadiazol-4-yl)benzoic acid?
2-methyl-5-(thiadiazol-4-yl)benzoic 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 2-methyl-5-(thiadiazol-4-yl)benzoic acid is sourced from PubChem (CID 174257420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).