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

C9H4Cl2N2O2S — CID 22229255

IUPAC3-(2,4-dichlorophenyl)-1,2,4-thiadiazole-5-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(Cl)cc2Cl)ns1
InChIInChI=1S/C9H4Cl2N2O2S/c10-4-1-2-5(6(11)3-4)7-12-8(9(14)15)16-13-7/h1-3H,(H,14,15)
InChIKeyBIWVEJFMDUUCLA-UHFFFAOYSA-N
MW275.12 g/mol
LogP3.21
Rot. Bonds2

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

3-(2,4-dichlorophenyl)-1,2,4-thiadiazole-5-carboxylic acid (PubChem CID 22229255) has the molecular formula C9H4Cl2N2O2S and a molecular weight of 275.12 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1,2,4-thiadiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1,2,4-thiadiazole-5-carboxylic acid
PubChem CID22229255
Molecular FormulaC9H4Cl2N2O2S
Molecular Weight275.12 g/mol
Exact Mass273.94
IUPAC Name3-(2,4-dichlorophenyl)-1,2,4-thiadiazole-5-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(Cl)cc2Cl)ns1
InChIInChI=1S/C9H4Cl2N2O2S/c10-4-1-2-5(6(11)3-4)7-12-8(9(14)15)16-13-7/h1-3H,(H,14,15)
InChIKeyBIWVEJFMDUUCLA-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-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
sodium;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,3-thiazole-2-carboxylic acid;hydroxide
CID 142929209
2-(5-amino-1,2,4-thiadiazol-3-yl)-5-chlorophenol
CID 137224780
2-bromo-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 58094854
4-(2,4-dichlorophenyl)-3-fluorobenzoic acid
CID 53211306
3-chloro-5-(2,4-dichlorophenyl)benzoic acid
CID 53227684
4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1483674
2,6-diamino-5-(2,4-dichlorophenyl)pyrimidine-4-carboxylic acid
CID 19705121
4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride
CID 67933510
5-(2,4-dichlorophenyl)-3-hydroxypyridine-2-carboxylic acid
CID 133093044
5-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxole-4-carboxylic acid
CID 141385266
6-amino-5-(2,4-dichlorophenyl)pyridine-3-carboxylic acid
CID 133087190

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1,2,4-thiadiazole-5-carboxylic acid?
The IUPAC name of 3-(2,4-dichlorophenyl)-1,2,4-thiadiazole-5-carboxylic acid (CID 22229255) is 3-(2,4-dichlorophenyl)-1,2,4-thiadiazole-5-carboxylic acid.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1,2,4-thiadiazole-5-carboxylic acid?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1,2,4-thiadiazole-5-carboxylic acid is O=C(O)c1nc(-c2ccc(Cl)cc2Cl)ns1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1,2,4-thiadiazole-5-carboxylic acid?
The InChIKey is BIWVEJFMDUUCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2N2O2S/c10-4-1-2-5(6(11)3-4)7-12-8(9(14)15)16-13-7/h1-3H,(H,14,15).
What are the key properties of 3-(2,4-dichlorophenyl)-1,2,4-thiadiazole-5-carboxylic acid?
3-(2,4-dichlorophenyl)-1,2,4-thiadiazole-5-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 3-(2,4-dichlorophenyl)-1,2,4-thiadiazole-5-carboxylic acid is sourced from PubChem (CID 22229255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).