5-amino-2-nitro-3H-1,3-thiazole-2-diazonium

C3H4N5O2S+ — CID 175302544

IUPAC5-amino-2-nitro-3H-1,3-thiazole-2-diazonium
SMILESN#[N+]C1([N+](=O)[O-])NC=C(N)S1
InChIInChI=1S/C3H3N5O2S/c4-2-1-6-3(7-5,11-2)8(9)10/h1,4-5H/p+1
InChIKeyRXRMLQIPOBGYLD-UHFFFAOYSA-O
MW174.17 g/mol
LogP-0.18
Rot. Bonds1

About 5-amino-2-nitro-3H-1,3-thiazole-2-diazonium

5-amino-2-nitro-3H-1,3-thiazole-2-diazonium (PubChem CID 175302544) has the molecular formula C3H4N5O2S+ and a molecular weight of 174.17 g/mol. Its IUPAC name is 5-amino-2-nitro-3H-1,3-thiazole-2-diazonium.

Molecular Properties

Compound Name5-amino-2-nitro-3H-1,3-thiazole-2-diazonium
PubChem CID175302544
Molecular FormulaC3H4N5O2S+
Molecular Weight174.17 g/mol
Exact Mass174.01
IUPAC Name5-amino-2-nitro-3H-1,3-thiazole-2-diazonium
SMILESN#[N+]C1([N+](=O)[O-])NC=C(N)S1
InChIInChI=1S/C3H3N5O2S/c4-2-1-6-3(7-5,11-2)8(9)10/h1,4-5H/p+1
InChIKeyRXRMLQIPOBGYLD-UHFFFAOYSA-O
XLogP-0.18
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', '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

5-Nitro-4-thiazoline
CID 66826124
2-Nitro-2,3-dihydro-1,3-thiazole
CID 66670328
5-Nitro-2,3-dihydro-1,3-thiazol-2-amine
CID 129182230
2-amino-5-nitro-3H-1,3-thiazole-2-diazonium
CID 141515329
5-nitro-3H-1,3-thiazole-2,2-diamine
CID 151012023
2-diazo-5-nitro-3H-1,3-thiazole
CID 164059498
4-Nitro-2,3-dihydro-1,3-thiazole
CID 173057172

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-nitro-3H-1,3-thiazole-2-diazonium?
The IUPAC name of 5-amino-2-nitro-3H-1,3-thiazole-2-diazonium (CID 175302544) is 5-amino-2-nitro-3H-1,3-thiazole-2-diazonium.
What is the SMILES notation for 5-amino-2-nitro-3H-1,3-thiazole-2-diazonium?
The canonical SMILES for 5-amino-2-nitro-3H-1,3-thiazole-2-diazonium is N#[N+]C1([N+](=O)[O-])NC=C(N)S1.
What is the InChIKey of 5-amino-2-nitro-3H-1,3-thiazole-2-diazonium?
The InChIKey is RXRMLQIPOBGYLD-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H3N5O2S/c4-2-1-6-3(7-5,11-2)8(9)10/h1,4-5H/p+1.
What are the key properties of 5-amino-2-nitro-3H-1,3-thiazole-2-diazonium?
5-amino-2-nitro-3H-1,3-thiazole-2-diazonium has a molecular weight of 174.17 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-nitro-3H-1,3-thiazole-2-diazonium is sourced from PubChem (CID 175302544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).