2-chloro-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]benzoic acid

C11H10ClN3O2S — CID 65272830

IUPAC2-chloro-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]benzoic acid
SMILESCCc1nsc(Nc2ccc(Cl)c(C(=O)O)c2)n1
InChIInChI=1S/C11H10ClN3O2S/c1-2-9-14-11(18-15-9)13-6-3-4-8(12)7(5-6)10(16)17/h3-5H,2H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyXUOGKBGHASDNJP-UHFFFAOYSA-N
MW283.74 g/mol
LogP3.20
Rot. Bonds4

About 2-chloro-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]benzoic acid

2-chloro-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]benzoic acid (PubChem CID 65272830) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is 2-chloro-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]benzoic acid
PubChem CID65272830
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Name2-chloro-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]benzoic acid
SMILESCCc1nsc(Nc2ccc(Cl)c(C(=O)O)c2)n1
InChIInChI=1S/C11H10ClN3O2S/c1-2-9-14-11(18-15-9)13-6-3-4-8(12)7(5-6)10(16)17/h3-5H,2H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyXUOGKBGHASDNJP-UHFFFAOYSA-N
XLogP3.20
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxybenzoic acid
CID 107208965
5-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2-chlorobenzoic acid
CID 65272769
N-[4-(chloromethyl)phenyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65277527
2-chloro-5-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]benzoic acid
CID 136958542
(2S)-1-[5-(3-chloro-4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol
CID 139041198
5-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 65270189
3-ethyl-N-(1-methyl-2,3-dihydroindol-6-yl)-1,2,4-thiadiazol-5-amine
CID 133435563
2-chloro-5-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]benzoic acid
CID 66333309
4-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methylbenzoic acid
CID 62963351
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 133425112
5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid
CID 62945822
1-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one
CID 133459392

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]benzoic acid?
The IUPAC name of 2-chloro-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]benzoic acid (CID 65272830) is 2-chloro-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]benzoic acid?
The canonical SMILES for 2-chloro-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]benzoic acid is CCc1nsc(Nc2ccc(Cl)c(C(=O)O)c2)n1.
What is the InChIKey of 2-chloro-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]benzoic acid?
The InChIKey is XUOGKBGHASDNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c1-2-9-14-11(18-15-9)13-6-3-4-8(12)7(5-6)10(16)17/h3-5H,2H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-chloro-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]benzoic acid?
2-chloro-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]benzoic acid has a molecular weight of 283.74 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]benzoic acid is sourced from PubChem (CID 65272830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).