5-nitro-N-pentan-3-ylimidazo[2,1-b][1,3]thiazol-6-amine

C10H14N4O2S — CID 16780826

IUPAC5-nitro-N-pentan-3-ylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCC(CC)Nc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O2S/c1-3-7(4-2)11-8-9(14(15)16)13-5-6-17-10(13)12-8/h5-7,11H,3-4H2,1-2H3
InChIKeyAFQAOBQFNLAIJG-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.90
Rot. Bonds5

About 5-nitro-N-pentan-3-ylimidazo[2,1-b][1,3]thiazol-6-amine

5-nitro-N-pentan-3-ylimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 16780826) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 5-nitro-N-pentan-3-ylimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-nitro-N-pentan-3-ylimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID16780826
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name5-nitro-N-pentan-3-ylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCC(CC)Nc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O2S/c1-3-7(4-2)11-8-9(14(15)16)13-5-6-17-10(13)12-8/h5-7,11H,3-4H2,1-2H3
InChIKeyAFQAOBQFNLAIJG-UHFFFAOYSA-N
XLogP2.90
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-nitro-N-pentan-3-ylimidazo[2,1-b][1,3]thiazol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-pentan-3-ylimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-nitro-N-pentan-3-ylimidazo[2,1-b][1,3]thiazol-6-amine (CID 16780826) is 5-nitro-N-pentan-3-ylimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-nitro-N-pentan-3-ylimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-nitro-N-pentan-3-ylimidazo[2,1-b][1,3]thiazol-6-amine is CCC(CC)Nc1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of 5-nitro-N-pentan-3-ylimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is AFQAOBQFNLAIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-3-7(4-2)11-8-9(14(15)16)13-5-6-17-10(13)12-8/h5-7,11H,3-4H2,1-2H3.
What are the key properties of 5-nitro-N-pentan-3-ylimidazo[2,1-b][1,3]thiazol-6-amine?
5-nitro-N-pentan-3-ylimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 254.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-pentan-3-ylimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 16780826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).