5-amino-N-[(Z)-(3-nitrophenyl)methylideneamino]thiadiazole-4-carboxamide

C10H8N6O3S — CID 6059446

IUPAC5-amino-N-[(Z)-(3-nitrophenyl)methylideneamino]thiadiazole-4-carboxamide
SMILESNc1snnc1C(=O)N/N=C\c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H8N6O3S/c11-9-8(13-15-20-9)10(17)14-12-5-6-2-1-3-7(4-6)16(18)19/h1-5H,11H2,(H,14,17)/b12-5-
InChIKeyGEWRGRAYSUYILG-XGICHPGQSA-N
MW292.28 g/mol
LogP0.79
Rot. Bonds4

About 5-amino-N-[(Z)-(3-nitrophenyl)methylideneamino]thiadiazole-4-carboxamide

5-amino-N-[(Z)-(3-nitrophenyl)methylideneamino]thiadiazole-4-carboxamide (PubChem CID 6059446) has the molecular formula C10H8N6O3S and a molecular weight of 292.28 g/mol. Its IUPAC name is 5-amino-N-[(Z)-(3-nitrophenyl)methylideneamino]thiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(Z)-(3-nitrophenyl)methylideneamino]thiadiazole-4-carboxamide
PubChem CID6059446
Molecular FormulaC10H8N6O3S
Molecular Weight292.28 g/mol
Exact Mass292.04
IUPAC Name5-amino-N-[(Z)-(3-nitrophenyl)methylideneamino]thiadiazole-4-carboxamide
SMILESNc1snnc1C(=O)N/N=C\c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H8N6O3S/c11-9-8(13-15-20-9)10(17)14-12-5-6-2-1-3-7(4-6)16(18)19/h1-5H,11H2,(H,14,17)/b12-5-
InChIKeyGEWRGRAYSUYILG-XGICHPGQSA-N
XLogP0.79
TPSA136.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide
CID 4165558
4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403564
4-bromo-1-methyl-N-[(Z)-(3-nitrophenyl)methylideneamino]pyrazole-3-carboxamide
CID 5499600
1,3-bis[(Z)-(3-nitrophenyl)methylideneamino]thiourea
CID 6280519
2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
CID 6879661
N-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide
CID 6897881
N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide
CID 5380788
4-chloro-1-methyl-N-[(3-nitrophenyl)methylideneamino]pyrazole-5-carboxamide
CID 831864
N-[(Z)-(3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 5399697
2-(4-aminophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 110515234
N-[(3-nitrophenyl)methylideneamino]-3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]benzamide
CID 4033932
3-amino-N-[(E)-[3-[(Z)-[(3-amino-5-nitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-5-nitrobenzamide
CID 39844328

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(Z)-(3-nitrophenyl)methylideneamino]thiadiazole-4-carboxamide?
The IUPAC name of 5-amino-N-[(Z)-(3-nitrophenyl)methylideneamino]thiadiazole-4-carboxamide (CID 6059446) is 5-amino-N-[(Z)-(3-nitrophenyl)methylideneamino]thiadiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[(Z)-(3-nitrophenyl)methylideneamino]thiadiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[(Z)-(3-nitrophenyl)methylideneamino]thiadiazole-4-carboxamide is Nc1snnc1C(=O)N/N=C\c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 5-amino-N-[(Z)-(3-nitrophenyl)methylideneamino]thiadiazole-4-carboxamide?
The InChIKey is GEWRGRAYSUYILG-XGICHPGQSA-N. The full InChI is InChI=1S/C10H8N6O3S/c11-9-8(13-15-20-9)10(17)14-12-5-6-2-1-3-7(4-6)16(18)19/h1-5H,11H2,(H,14,17)/b12-5-.
What are the key properties of 5-amino-N-[(Z)-(3-nitrophenyl)methylideneamino]thiadiazole-4-carboxamide?
5-amino-N-[(Z)-(3-nitrophenyl)methylideneamino]thiadiazole-4-carboxamide has a molecular weight of 292.28 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(Z)-(3-nitrophenyl)methylideneamino]thiadiazole-4-carboxamide is sourced from PubChem (CID 6059446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).