5-[(4-nitrobenzoyl)amino]thiadiazole-4-carboxamide

C10H7N5O4S — CID 5212421

IUPAC5-[(4-nitrobenzoyl)amino]thiadiazole-4-carboxamide
SMILESNC(=O)c1nnsc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H7N5O4S/c11-8(16)7-10(20-14-13-7)12-9(17)5-1-3-6(4-2-5)15(18)19/h1-4H,(H2,11,16)(H,12,17)
InChIKeySULLZRMGRACZCC-UHFFFAOYSA-N
MW293.26 g/mol
LogP0.80
Rot. Bonds4

About 5-[(4-nitrobenzoyl)amino]thiadiazole-4-carboxamide

5-[(4-nitrobenzoyl)amino]thiadiazole-4-carboxamide (PubChem CID 5212421) has the molecular formula C10H7N5O4S and a molecular weight of 293.26 g/mol. Its IUPAC name is 5-[(4-nitrobenzoyl)amino]thiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-nitrobenzoyl)amino]thiadiazole-4-carboxamide
PubChem CID5212421
Molecular FormulaC10H7N5O4S
Molecular Weight293.26 g/mol
Exact Mass293.02
IUPAC Name5-[(4-nitrobenzoyl)amino]thiadiazole-4-carboxamide
SMILESNC(=O)c1nnsc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H7N5O4S/c11-8(16)7-10(20-14-13-7)12-9(17)5-1-3-6(4-2-5)15(18)19/h1-4H,(H2,11,16)(H,12,17)
InChIKeySULLZRMGRACZCC-UHFFFAOYSA-N
XLogP0.80
TPSA141.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 50.80
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'}

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Related Compounds

4-nitro-N-(thiatriazol-5-yl)benzamide
CID 19114267
5-[(4-nitrophenyl)carbamoylamino]thiadiazole-4-carboxylic acid
CID 3276295
3-[(4-nitrobenzoyl)amino]thiophene-2-carboxamide
CID 141467383
4-nitrobenzohydrazide;hydrochloride
CID 172718286
2-[(4-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxamide
CID 3357190
N-(3-methylthiophen-2-yl)-4-nitrobenzamide
CID 19689921
N-(4-aminothiophen-3-yl)-4-nitrobenzamide
CID 139816874
2-[(4-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 2162689
methyl 4-carbamoyl-3-methyl-5-[(4-nitrobenzoyl)amino]thiophene-2-carboxylate
CID 44918659
4-nitro-N-[6-[(4-nitrobenzoyl)amino]-2-pyridinyl]benzamide
CID 4320566
N-(2,6-dinitrophenyl)-4-nitrobenzamide
CID 3089919
N-(4,6-dichloropyrimidin-5-yl)-4-nitrobenzamide
CID 2322667

Frequently Asked Questions

What is the IUPAC name of 5-[(4-nitrobenzoyl)amino]thiadiazole-4-carboxamide?
The IUPAC name of 5-[(4-nitrobenzoyl)amino]thiadiazole-4-carboxamide (CID 5212421) is 5-[(4-nitrobenzoyl)amino]thiadiazole-4-carboxamide.
What is the SMILES notation for 5-[(4-nitrobenzoyl)amino]thiadiazole-4-carboxamide?
The canonical SMILES for 5-[(4-nitrobenzoyl)amino]thiadiazole-4-carboxamide is NC(=O)c1nnsc1NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-[(4-nitrobenzoyl)amino]thiadiazole-4-carboxamide?
The InChIKey is SULLZRMGRACZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O4S/c11-8(16)7-10(20-14-13-7)12-9(17)5-1-3-6(4-2-5)15(18)19/h1-4H,(H2,11,16)(H,12,17).
What are the key properties of 5-[(4-nitrobenzoyl)amino]thiadiazole-4-carboxamide?
5-[(4-nitrobenzoyl)amino]thiadiazole-4-carboxamide has a molecular weight of 293.26 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-nitrobenzoyl)amino]thiadiazole-4-carboxamide is sourced from PubChem (CID 5212421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).