3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-hydroxybenzoic acid

C12H11N3O4S — CID 136712533

IUPAC3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-hydroxybenzoic acid
SMILESCCc1nnsc1C(=O)Nc1cccc(C(=O)O)c1O
InChIInChI=1S/C12H11N3O4S/c1-2-7-10(20-15-14-7)11(17)13-8-5-3-4-6(9(8)16)12(18)19/h3-5,16H,2H2,1H3,(H,13,17)(H,18,19)
InChIKeySTMGPDMSOUZUCR-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.76
Rot. Bonds4

About 3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-hydroxybenzoic acid

3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-hydroxybenzoic acid (PubChem CID 136712533) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is 3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-hydroxybenzoic acid
PubChem CID136712533
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-hydroxybenzoic acid
SMILESCCc1nnsc1C(=O)Nc1cccc(C(=O)O)c1O
InChIInChI=1S/C12H11N3O4S/c1-2-7-10(20-15-14-7)11(17)13-8-5-3-4-6(9(8)16)12(18)19/h3-5,16H,2H2,1H3,(H,13,17)(H,18,19)
InChIKeySTMGPDMSOUZUCR-UHFFFAOYSA-N
XLogP1.76
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[(4-ethylthiadiazole-5-carbonyl)amino]-4,5-difluorobenzoic acid
CID 65205703
5-[(4-ethylthiadiazole-5-carbonyl)amino]-2,4-difluorobenzoic acid
CID 60748340
4-ethyl-N-[2-(methanesulfonamido)phenyl]thiadiazole-5-carboxamide
CID 25331555
3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxybenzoic acid
CID 104833014
4-chloro-3-[(4-ethylthiadiazole-5-carbonyl)amino]benzoic acid
CID 65206218
N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide
CID 46522307
4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide
CID 9192445
4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide
CID 60693400
N-(2-carbamothioyl-6-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 107468519
N'-benzoyl-4-ethylthiadiazole-5-carbohydrazide
CID 46522979
N-(2-chloro-4-iodophenyl)-4-ethylthiadiazole-5-carboxamide
CID 103614219
N-(2-amino-6-methylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65206156

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-hydroxybenzoic acid (CID 136712533) is 3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-hydroxybenzoic acid is CCc1nnsc1C(=O)Nc1cccc(C(=O)O)c1O.
What is the InChIKey of 3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-hydroxybenzoic acid?
The InChIKey is STMGPDMSOUZUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c1-2-7-10(20-15-14-7)11(17)13-8-5-3-4-6(9(8)16)12(18)19/h3-5,16H,2H2,1H3,(H,13,17)(H,18,19).
What are the key properties of 3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-hydroxybenzoic acid?
3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-hydroxybenzoic acid has a molecular weight of 293.30 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 136712533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).