5-chloro-2-(thiadiazole-5-carbonylamino)benzoic acid

C10H6ClN3O3S — CID 43522632

IUPAC5-chloro-2-(thiadiazole-5-carbonylamino)benzoic acid
SMILESO=C(Nc1ccc(Cl)cc1C(=O)O)c1cnns1
InChIInChI=1S/C10H6ClN3O3S/c11-5-1-2-7(6(3-5)10(16)17)13-9(15)8-4-12-14-18-8/h1-4H,(H,13,15)(H,16,17)
InChIKeyVFTDJSDBSFHDRM-UHFFFAOYSA-N
MW283.70 g/mol
LogP2.14
Rot. Bonds3

About 5-chloro-2-(thiadiazole-5-carbonylamino)benzoic acid

5-chloro-2-(thiadiazole-5-carbonylamino)benzoic acid (PubChem CID 43522632) has the molecular formula C10H6ClN3O3S and a molecular weight of 283.70 g/mol. Its IUPAC name is 5-chloro-2-(thiadiazole-5-carbonylamino)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(thiadiazole-5-carbonylamino)benzoic acid
PubChem CID43522632
Molecular FormulaC10H6ClN3O3S
Molecular Weight283.70 g/mol
Exact Mass282.98
IUPAC Name5-chloro-2-(thiadiazole-5-carbonylamino)benzoic acid
SMILESO=C(Nc1ccc(Cl)cc1C(=O)O)c1cnns1
InChIInChI=1S/C10H6ClN3O3S/c11-5-1-2-7(6(3-5)10(16)17)13-9(15)8-4-12-14-18-8/h1-4H,(H,13,15)(H,16,17)
InChIKeyVFTDJSDBSFHDRM-UHFFFAOYSA-N
XLogP2.14
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.70
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(thiadiazole-5-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 66269359
5-chloro-2-(thiadiazole-4-carbonylamino)benzoic acid
CID 65214075
3-fluoro-4-(thiadiazole-5-carbonylamino)benzoic acid
CID 55157917
5-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoic acid
CID 10427632
5-chloro-2-[(5,6-dichloropyridine-3-carbonyl)amino]benzoic acid
CID 43092327
5-chloro-2-[(2-chlorofuran-3-carbonyl)amino]benzoic acid
CID 106683314
2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoic acid
CID 66468610
2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid
CID 61158573
N-(2,4-dimethylphenyl)thiadiazole-5-carboxamide
CID 47259565
2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid
CID 9320346
5-chloro-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 43092330
N-(2-chloro-3-pyridinyl)thiadiazole-5-carboxamide
CID 103622836

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(thiadiazole-5-carbonylamino)benzoic acid?
The IUPAC name of 5-chloro-2-(thiadiazole-5-carbonylamino)benzoic acid (CID 43522632) is 5-chloro-2-(thiadiazole-5-carbonylamino)benzoic acid.
What is the SMILES notation for 5-chloro-2-(thiadiazole-5-carbonylamino)benzoic acid?
The canonical SMILES for 5-chloro-2-(thiadiazole-5-carbonylamino)benzoic acid is O=C(Nc1ccc(Cl)cc1C(=O)O)c1cnns1.
What is the InChIKey of 5-chloro-2-(thiadiazole-5-carbonylamino)benzoic acid?
The InChIKey is VFTDJSDBSFHDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O3S/c11-5-1-2-7(6(3-5)10(16)17)13-9(15)8-4-12-14-18-8/h1-4H,(H,13,15)(H,16,17).
What are the key properties of 5-chloro-2-(thiadiazole-5-carbonylamino)benzoic acid?
5-chloro-2-(thiadiazole-5-carbonylamino)benzoic acid has a molecular weight of 283.70 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(thiadiazole-5-carbonylamino)benzoic acid is sourced from PubChem (CID 43522632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).