5-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid

C10H8N2O2S2 — CID 62510829

IUPAC5-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid
SMILESCc1ccc(Sc2nncs2)c(C(=O)O)c1
InChIInChI=1S/C10H8N2O2S2/c1-6-2-3-8(7(4-6)9(13)14)16-10-12-11-5-15-10/h2-5H,1H3,(H,13,14)
InChIKeyNACTWTOAIUAWQG-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.70
Rot. Bonds3

About 5-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid

5-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid (PubChem CID 62510829) has the molecular formula C10H8N2O2S2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid.

Molecular Properties

Compound Name5-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid
PubChem CID62510829
Molecular FormulaC10H8N2O2S2
Molecular Weight252.32 g/mol
Exact Mass252.00
IUPAC Name5-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid
SMILESCc1ccc(Sc2nncs2)c(C(=O)O)c1
InChIInChI=1S/C10H8N2O2S2/c1-6-2-3-8(7(4-6)9(13)14)16-10-12-11-5-15-10/h2-5H,1H3,(H,13,14)
InChIKeyNACTWTOAIUAWQG-UHFFFAOYSA-N
XLogP2.70
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid
CID 22915547
4-methoxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid
CID 81309328
2-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid
CID 115547475
1-(2,5-dimethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one
CID 43413973
2-amino-5-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid
CID 60987603
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-methylbenzoic acid
CID 63539556
4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzoic acid
CID 62701448
2-(4-acetamidophenyl)sulfanyl-5-methylbenzoic acid
CID 62510654
5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzaldehyde
CID 63802367
(1R)-1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol
CID 63812644
2-(1,3,4-thiadiazol-2-ylsulfanyl)benzaldehyde
CID 63802023
N-[[3-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methyl]cyclopropanamine
CID 55240384

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid?
The IUPAC name of 5-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid (CID 62510829) is 5-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid.
What is the SMILES notation for 5-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid?
The canonical SMILES for 5-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid is Cc1ccc(Sc2nncs2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid?
The InChIKey is NACTWTOAIUAWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S2/c1-6-2-3-8(7(4-6)9(13)14)16-10-12-11-5-15-10/h2-5H,1H3,(H,13,14).
What are the key properties of 5-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid?
5-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid has a molecular weight of 252.32 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid is sourced from PubChem (CID 62510829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).