2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide

C11H10N6O4S — CID 135521461

IUPAC2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
SMILESNc1nnc(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2O)s1
InChIInChI=1S/C11H10N6O4S/c12-11-16-15-10(22-11)4-9(19)14-13-5-6-3-7(17(20)21)1-2-8(6)18/h1-3,5,18H,4H2,(H2,12,16)(H,14,19)/b13-5-
InChIKeyOCRDEAMLLVDZKT-ACAGNQJTSA-N
MW322.31 g/mol
LogP0.43
Rot. Bonds5

About 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide

2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide (PubChem CID 135521461) has the molecular formula C11H10N6O4S and a molecular weight of 322.31 g/mol. Its IUPAC name is 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
PubChem CID135521461
Molecular FormulaC11H10N6O4S
Molecular Weight322.31 g/mol
Exact Mass322.05
IUPAC Name2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
SMILESNc1nnc(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2O)s1
InChIInChI=1S/C11H10N6O4S/c12-11-16-15-10(22-11)4-9(19)14-13-5-6-3-7(17(20)21)1-2-8(6)18/h1-3,5,18H,4H2,(H2,12,16)(H,14,19)/b13-5-
InChIKeyOCRDEAMLLVDZKT-ACAGNQJTSA-N
XLogP0.43
TPSA156.63 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 135699257
2-(4-ethylphenyl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 137180707
2-cyano-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135715830
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 135627954
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide
CID 714368
1-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-nitroguanidine
CID 135444892
2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide
CID 3358963
methyl N-[(2-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 3681346
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 135479340
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 135682502
2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 3481888
2-[2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 135716427

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide (CID 135521461) is 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide is Nc1nnc(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2O)s1.
What is the InChIKey of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The InChIKey is OCRDEAMLLVDZKT-ACAGNQJTSA-N. The full InChI is InChI=1S/C11H10N6O4S/c12-11-16-15-10(22-11)4-9(19)14-13-5-6-3-7(17(20)21)1-2-8(6)18/h1-3,5,18H,4H2,(H2,12,16)(H,14,19)/b13-5-.
What are the key properties of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide has a molecular weight of 322.31 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 135521461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).