4-nitro-2-(thiadiazole-4-carbonylamino)benzoic acid

C10H6N4O5S — CID 65214660

IUPAC4-nitro-2-(thiadiazole-4-carbonylamino)benzoic acid
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1C(=O)O)c1csnn1
InChIInChI=1S/C10H6N4O5S/c15-9(8-4-20-13-12-8)11-7-3-5(14(18)19)1-2-6(7)10(16)17/h1-4H,(H,11,15)(H,16,17)
InChIKeyZVZCZXUADGPTQH-UHFFFAOYSA-N
MW294.25 g/mol
LogP1.40
Rot. Bonds4

About 4-nitro-2-(thiadiazole-4-carbonylamino)benzoic acid

4-nitro-2-(thiadiazole-4-carbonylamino)benzoic acid (PubChem CID 65214660) has the molecular formula C10H6N4O5S and a molecular weight of 294.25 g/mol. Its IUPAC name is 4-nitro-2-(thiadiazole-4-carbonylamino)benzoic acid.

Molecular Properties

Compound Name4-nitro-2-(thiadiazole-4-carbonylamino)benzoic acid
PubChem CID65214660
Molecular FormulaC10H6N4O5S
Molecular Weight294.25 g/mol
Exact Mass294.01
IUPAC Name4-nitro-2-(thiadiazole-4-carbonylamino)benzoic acid
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1C(=O)O)c1csnn1
InChIInChI=1S/C10H6N4O5S/c15-9(8-4-20-13-12-8)11-7-3-5(14(18)19)1-2-6(7)10(16)17/h1-4H,(H,11,15)(H,16,17)
InChIKeyZVZCZXUADGPTQH-UHFFFAOYSA-N
XLogP1.40
TPSA135.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-nitro-2-(thiadiazole-4-carbonylamino)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-4-nitrobenzoic acid
CID 65199661
4-nitro-2-(pyridine-4-carbonylamino)benzoic acid
CID 63111000
4-nitro-2-[(2-thiophen-3-ylacetyl)amino]benzoic acid
CID 63110714
2-[(3-methylthiophene-2-carbonyl)amino]-4-nitrobenzoic acid
CID 63110771
furan-2-carboxylic acid;N-(5-nitro-2-pyridinyl)thiadiazole-4-carboxamide
CID 70137908
4-nitro-2-(prop-2-enoylamino)benzoic acid
CID 63110805
N-(2-acetyl-5-nitrophenyl)benzamide
CID 154214171
2-(cyclopentanecarbonylamino)-4-nitrobenzoic acid
CID 63110863
3-chloro-4-(thiadiazole-4-carbonylamino)benzoic acid
CID 65214609
2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid
CID 16776660
2-(2-methylbutanoylamino)-4-nitrobenzoic acid
CID 55177104
2-(heptanoylamino)-4-nitrobenzoic acid
CID 63110783

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-(thiadiazole-4-carbonylamino)benzoic acid?
The IUPAC name of 4-nitro-2-(thiadiazole-4-carbonylamino)benzoic acid (CID 65214660) is 4-nitro-2-(thiadiazole-4-carbonylamino)benzoic acid.
What is the SMILES notation for 4-nitro-2-(thiadiazole-4-carbonylamino)benzoic acid?
The canonical SMILES for 4-nitro-2-(thiadiazole-4-carbonylamino)benzoic acid is O=C(Nc1cc([N+](=O)[O-])ccc1C(=O)O)c1csnn1.
What is the InChIKey of 4-nitro-2-(thiadiazole-4-carbonylamino)benzoic acid?
The InChIKey is ZVZCZXUADGPTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O5S/c15-9(8-4-20-13-12-8)11-7-3-5(14(18)19)1-2-6(7)10(16)17/h1-4H,(H,11,15)(H,16,17).
What are the key properties of 4-nitro-2-(thiadiazole-4-carbonylamino)benzoic acid?
4-nitro-2-(thiadiazole-4-carbonylamino)benzoic acid has a molecular weight of 294.25 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-(thiadiazole-4-carbonylamino)benzoic acid is sourced from PubChem (CID 65214660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).