[4-[(4-methoxy-3-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine

C10H11N5O4S — CID 103202262

IUPAC[4-[(4-methoxy-3-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine
SMILESCOc1ccc(OCc2nnsc2NN)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O4S/c1-18-9-3-2-6(4-8(9)15(16)17)19-5-7-10(12-11)20-14-13-7/h2-4,12H,5,11H2,1H3
InChIKeyAOZRRSABTBSRRR-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.32
Rot. Bonds6

About [4-[(4-methoxy-3-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine

[4-[(4-methoxy-3-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine (PubChem CID 103202262) has the molecular formula C10H11N5O4S and a molecular weight of 297.30 g/mol. Its IUPAC name is [4-[(4-methoxy-3-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[4-[(4-methoxy-3-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine
PubChem CID103202262
Molecular FormulaC10H11N5O4S
Molecular Weight297.30 g/mol
Exact Mass297.05
IUPAC Name[4-[(4-methoxy-3-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine
SMILESCOc1ccc(OCc2nnsc2NN)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O4S/c1-18-9-3-2-6(4-8(9)15(16)17)19-5-7-10(12-11)20-14-13-7/h2-4,12H,5,11H2,1H3
InChIKeyAOZRRSABTBSRRR-UHFFFAOYSA-N
XLogP1.32
TPSA125.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

4-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylthiadiazol-5-amine
CID 103202251
[5-[(4-methoxy-3-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 103202266
[4-[(3-methoxyphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62245057
[4-[(2-bromo-4-methoxyphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 104708258
[4-[(4-bromo-3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 83140831
6-[(4-methoxy-3-nitrophenoxy)methyl]pyridin-2-amine
CID 103202243
[5-[(4-methoxy-2-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613395
5-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylpyridin-2-amine
CID 103202259
2-amino-3-(4-methoxy-3-nitrophenoxy)propanamide
CID 103201521
2-chloro-3-[(4-methoxy-3-nitrophenoxy)methyl]pyridine
CID 103201604
4-[(4-methoxy-3-nitrophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 103201513
[6-[(4-methoxy-2-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 79233113

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxy-3-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine?
The IUPAC name of [4-[(4-methoxy-3-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine (CID 103202262) is [4-[(4-methoxy-3-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine.
What is the SMILES notation for [4-[(4-methoxy-3-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine?
The canonical SMILES for [4-[(4-methoxy-3-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine is COc1ccc(OCc2nnsc2NN)cc1[N+](=O)[O-].
What is the InChIKey of [4-[(4-methoxy-3-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine?
The InChIKey is AOZRRSABTBSRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4S/c1-18-9-3-2-6(4-8(9)15(16)17)19-5-7-10(12-11)20-14-13-7/h2-4,12H,5,11H2,1H3.
What are the key properties of [4-[(4-methoxy-3-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine?
[4-[(4-methoxy-3-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine has a molecular weight of 297.30 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxy-3-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine is sourced from PubChem (CID 103202262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).