[3-nitro-2-(1,3-thiazol-2-yl)phenyl]hydrazine

C9H8N4O2S — CID 175236221

IUPAC[3-nitro-2-(1,3-thiazol-2-yl)phenyl]hydrazine
SMILESNNc1cccc([N+](=O)[O-])c1-c1nccs1
InChIInChI=1S/C9H8N4O2S/c10-12-6-2-1-3-7(13(14)15)8(6)9-11-4-5-16-9/h1-5,12H,10H2
InChIKeyKMENQZUBTPFPGB-UHFFFAOYSA-N
MW236.26 g/mol
LogP2.00
Rot. Bonds3

About [3-nitro-2-(1,3-thiazol-2-yl)phenyl]hydrazine

[3-nitro-2-(1,3-thiazol-2-yl)phenyl]hydrazine (PubChem CID 175236221) has the molecular formula C9H8N4O2S and a molecular weight of 236.26 g/mol. Its IUPAC name is [3-nitro-2-(1,3-thiazol-2-yl)phenyl]hydrazine.

Molecular Properties

Compound Name[3-nitro-2-(1,3-thiazol-2-yl)phenyl]hydrazine
PubChem CID175236221
Molecular FormulaC9H8N4O2S
Molecular Weight236.26 g/mol
Exact Mass236.04
IUPAC Name[3-nitro-2-(1,3-thiazol-2-yl)phenyl]hydrazine
SMILESNNc1cccc([N+](=O)[O-])c1-c1nccs1
InChIInChI=1S/C9H8N4O2S/c10-12-6-2-1-3-7(13(14)15)8(6)9-11-4-5-16-9/h1-5,12H,10H2
InChIKeyKMENQZUBTPFPGB-UHFFFAOYSA-N
XLogP2.00
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of [3-nitro-2-(1,3-thiazol-2-yl)phenyl]hydrazine?
The IUPAC name of [3-nitro-2-(1,3-thiazol-2-yl)phenyl]hydrazine (CID 175236221) is [3-nitro-2-(1,3-thiazol-2-yl)phenyl]hydrazine.
What is the SMILES notation for [3-nitro-2-(1,3-thiazol-2-yl)phenyl]hydrazine?
The canonical SMILES for [3-nitro-2-(1,3-thiazol-2-yl)phenyl]hydrazine is NNc1cccc([N+](=O)[O-])c1-c1nccs1.
What is the InChIKey of [3-nitro-2-(1,3-thiazol-2-yl)phenyl]hydrazine?
The InChIKey is KMENQZUBTPFPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2S/c10-12-6-2-1-3-7(13(14)15)8(6)9-11-4-5-16-9/h1-5,12H,10H2.
What are the key properties of [3-nitro-2-(1,3-thiazol-2-yl)phenyl]hydrazine?
[3-nitro-2-(1,3-thiazol-2-yl)phenyl]hydrazine has a molecular weight of 236.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-nitro-2-(1,3-thiazol-2-yl)phenyl]hydrazine is sourced from PubChem (CID 175236221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).