4-chloro-3-[(4-ethylthiadiazole-5-carbonyl)amino]benzoic acid

C12H10ClN3O3S — CID 65206218

IUPAC4-chloro-3-[(4-ethylthiadiazole-5-carbonyl)amino]benzoic acid
SMILESCCc1nnsc1C(=O)Nc1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C12H10ClN3O3S/c1-2-8-10(20-16-15-8)11(17)14-9-5-6(12(18)19)3-4-7(9)13/h3-5H,2H2,1H3,(H,14,17)(H,18,19)
InChIKeyLFEYKFFVCUZSJW-UHFFFAOYSA-N
MW311.75 g/mol
LogP2.70
Rot. Bonds4

About 4-chloro-3-[(4-ethylthiadiazole-5-carbonyl)amino]benzoic acid

4-chloro-3-[(4-ethylthiadiazole-5-carbonyl)amino]benzoic acid (PubChem CID 65206218) has the molecular formula C12H10ClN3O3S and a molecular weight of 311.75 g/mol. Its IUPAC name is 4-chloro-3-[(4-ethylthiadiazole-5-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(4-ethylthiadiazole-5-carbonyl)amino]benzoic acid
PubChem CID65206218
Molecular FormulaC12H10ClN3O3S
Molecular Weight311.75 g/mol
Exact Mass311.01
IUPAC Name4-chloro-3-[(4-ethylthiadiazole-5-carbonyl)amino]benzoic acid
SMILESCCc1nnsc1C(=O)Nc1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C12H10ClN3O3S/c1-2-8-10(20-16-15-8)11(17)14-9-5-6(12(18)19)3-4-7(9)13/h3-5H,2H2,1H3,(H,14,17)(H,18,19)
InChIKeyLFEYKFFVCUZSJW-UHFFFAOYSA-N
XLogP2.70
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4-iodophenyl)-4-ethylthiadiazole-5-carboxamide
CID 103614219
2-[(4-ethylthiadiazole-5-carbonyl)amino]-4,5-difluorobenzoic acid
CID 65205703
4-chloro-3-[(5-ethylthiophene-2-carbonyl)amino]benzoic acid
CID 43358861
4-ethyl-N-[4-(methylcarbamoyl)phenyl]thiadiazole-5-carboxamide
CID 30911801
4-[(4-ethylthiadiazole-5-carbonyl)amino]-3-methylbenzenesulfonyl chloride
CID 65205156
3-[(5-carboxy-2-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53270981
N'-benzoyl-4-ethylthiadiazole-5-carbohydrazide
CID 46522979
4-chloro-3-(pyridine-4-carbonylamino)benzoic acid
CID 24688561
N-(4-amino-2-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65206339
4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide
CID 9192445
4-chloro-3-(2H-triazole-4-carbonylamino)benzoic acid
CID 63283058
4-chloro-3-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 114030925

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-ethylthiadiazole-5-carbonyl)amino]benzoic acid?
The IUPAC name of 4-chloro-3-[(4-ethylthiadiazole-5-carbonyl)amino]benzoic acid (CID 65206218) is 4-chloro-3-[(4-ethylthiadiazole-5-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(4-ethylthiadiazole-5-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-3-[(4-ethylthiadiazole-5-carbonyl)amino]benzoic acid is CCc1nnsc1C(=O)Nc1cc(C(=O)O)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(4-ethylthiadiazole-5-carbonyl)amino]benzoic acid?
The InChIKey is LFEYKFFVCUZSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3S/c1-2-8-10(20-16-15-8)11(17)14-9-5-6(12(18)19)3-4-7(9)13/h3-5H,2H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 4-chloro-3-[(4-ethylthiadiazole-5-carbonyl)amino]benzoic acid?
4-chloro-3-[(4-ethylthiadiazole-5-carbonyl)amino]benzoic acid has a molecular weight of 311.75 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-ethylthiadiazole-5-carbonyl)amino]benzoic acid is sourced from PubChem (CID 65206218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).