5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine

C17H19N5O2S — CID 133439615

IUPAC5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NCc2ccccc2N2CCCCC2)nc2sccn12
InChIInChI=1S/C17H19N5O2S/c23-22(24)16-15(19-17-21(16)10-11-25-17)18-12-13-6-2-3-7-14(13)20-8-4-1-5-9-20/h2-3,6-7,10-11,18H,1,4-5,8-9,12H2
InChIKeyCBVLVOQNBWMEDT-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.91
Rot. Bonds5

About 5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine

5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 133439615) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID133439615
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NCc2ccccc2N2CCCCC2)nc2sccn12
InChIInChI=1S/C17H19N5O2S/c23-22(24)16-15(19-17-21(16)10-11-25-17)18-12-13-6-2-3-7-14(13)20-8-4-1-5-9-20/h2-3,6-7,10-11,18H,1,4-5,8-9,12H2
InChIKeyCBVLVOQNBWMEDT-UHFFFAOYSA-N
XLogP3.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(2-piperidin-1-ylphenyl)methyl]imidazo[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-[(2-piperidin-1-ylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine (CID 133439615) is 5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine is O=[N+]([O-])c1c(NCc2ccccc2N2CCCCC2)nc2sccn12.
What is the InChIKey of 5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is CBVLVOQNBWMEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c23-22(24)16-15(19-17-21(16)10-11-25-17)18-12-13-6-2-3-7-14(13)20-8-4-1-5-9-20/h2-3,6-7,10-11,18H,1,4-5,8-9,12H2.
What are the key properties of 5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine?
5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 357.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 133439615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).