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

C9H4Cl2N2O2S — CID 22229287

IUPAC5-(3,4-dichlorophenyl)-1,2,4-thiadiazole-3-carboxylic acid
SMILESO=C(O)c1nsc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C9H4Cl2N2O2S/c10-5-2-1-4(3-6(5)11)8-12-7(9(14)15)13-16-8/h1-3H,(H,14,15)
InChIKeyRFSDFJBXDMZRKT-UHFFFAOYSA-N
MW275.12 g/mol
LogP3.21
Rot. Bonds2

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

5-(3,4-dichlorophenyl)-1,2,4-thiadiazole-3-carboxylic acid (PubChem CID 22229287) has the molecular formula C9H4Cl2N2O2S and a molecular weight of 275.12 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-1,2,4-thiadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-1,2,4-thiadiazole-3-carboxylic acid
PubChem CID22229287
Molecular FormulaC9H4Cl2N2O2S
Molecular Weight275.12 g/mol
Exact Mass273.94
IUPAC Name5-(3,4-dichlorophenyl)-1,2,4-thiadiazole-3-carboxylic acid
SMILESO=C(O)c1nsc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C9H4Cl2N2O2S/c10-5-2-1-4(3-6(5)11)8-12-7(9(14)15)13-16-8/h1-3H,(H,14,15)
InChIKeyRFSDFJBXDMZRKT-UHFFFAOYSA-N
XLogP3.21
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole-3-carboxylic acid
CID 22229256
4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1473794
2-[2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 81492328
5-[[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]amino]-2H-triazole-4-carboxylic acid
CID 155415528
2-(3-amino-4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 82545832
N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 177178454
2-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 106817940
5-chloro-2-(3,4-dichlorophenyl)pyrimidine-4-carboxylic acid
CID 82168579
3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 83395279
5-(4-chloro-3-methylphenyl)-3-iodo-1,2,4-thiadiazole
CID 102943546
5-(3-bromo-4-chlorophenyl)-1,2,4-thiadiazol-3-amine
CID 107994568
4-(3,4-dichlorophenyl)benzamide
CID 141087497

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-1,2,4-thiadiazole-3-carboxylic acid?
The IUPAC name of 5-(3,4-dichlorophenyl)-1,2,4-thiadiazole-3-carboxylic acid (CID 22229287) is 5-(3,4-dichlorophenyl)-1,2,4-thiadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-1,2,4-thiadiazole-3-carboxylic acid?
The canonical SMILES for 5-(3,4-dichlorophenyl)-1,2,4-thiadiazole-3-carboxylic acid is O=C(O)c1nsc(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-1,2,4-thiadiazole-3-carboxylic acid?
The InChIKey is RFSDFJBXDMZRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2N2O2S/c10-5-2-1-4(3-6(5)11)8-12-7(9(14)15)13-16-8/h1-3H,(H,14,15).
What are the key properties of 5-(3,4-dichlorophenyl)-1,2,4-thiadiazole-3-carboxylic acid?
5-(3,4-dichlorophenyl)-1,2,4-thiadiazole-3-carboxylic acid has a molecular weight of 275.12 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-1,2,4-thiadiazole-3-carboxylic acid is sourced from PubChem (CID 22229287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).