N-hex-5-ynyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

C11H12N4O2S — CID 103757363

IUPACN-hex-5-ynyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESC#CCCCCNc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C11H12N4O2S/c1-2-3-4-5-6-12-9-10(15(16)17)14-7-8-18-11(14)13-9/h1,7-8,12H,3-6H2
InChIKeyAEPZSTBNWZTQLW-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.52
Rot. Bonds6

About N-hex-5-ynyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

N-hex-5-ynyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 103757363) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-hex-5-ynyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-hex-5-ynyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID103757363
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC NameN-hex-5-ynyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESC#CCCCCNc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C11H12N4O2S/c1-2-3-4-5-6-12-9-10(15(16)17)14-7-8-18-11(14)13-9/h1,7-8,12H,3-6H2
InChIKeyAEPZSTBNWZTQLW-UHFFFAOYSA-N
XLogP2.52
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-hex-5-ynyl-5-nitroimidazo[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

Related Compounds

N-(4-methylsulfanylbutyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 113238843
N-(3-methylsulfonylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 47292439
N-(3-methylsulfanylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 63965950
N-[2-(4-methylpiperazin-1-yl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60701927
N-tert-butyl-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propanamide
CID 115609150
5-nitro-N-(2-piperazin-1-ylethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43600445
5-nitro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 64532035
5-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 25330104
3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-propan-2-ylpropanamide
CID 115578507
5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 63831888
N,N-diethyl-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propanamide
CID 60926523
2-[3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propyl]cyclohexan-1-ol
CID 133384953

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-hex-5-ynyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 103757363) is N-hex-5-ynyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-hex-5-ynyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-hex-5-ynyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is C#CCCCCNc1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of N-hex-5-ynyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is AEPZSTBNWZTQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-2-3-4-5-6-12-9-10(15(16)17)14-7-8-18-11(14)13-9/h1,7-8,12H,3-6H2.
What are the key properties of N-hex-5-ynyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-hex-5-ynyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 264.31 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 103757363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).