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

C11H16N4O2S — CID 16780808

IUPACN-hexyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCCCCCNc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O2S/c1-2-3-4-5-6-12-9-10(15(16)17)14-7-8-18-11(14)13-9/h7-8,12H,2-6H2,1H3
InChIKeyBYLMHQIMVMWVPQ-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.30
Rot. Bonds7

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

N-hexyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 16780808) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-hexyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-hexyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID16780808
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC NameN-hexyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCCCCCNc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O2S/c1-2-3-4-5-6-12-9-10(15(16)17)14-7-8-18-11(14)13-9/h7-8,12H,2-6H2,1H3
InChIKeyBYLMHQIMVMWVPQ-UHFFFAOYSA-N
XLogP3.30
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.30
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'}

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-hexyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 16780808) is N-hexyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-hexyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-hexyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is CCCCCCNc1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of N-hexyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is BYLMHQIMVMWVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-2-3-4-5-6-12-9-10(15(16)17)14-7-8-18-11(14)13-9/h7-8,12H,2-6H2,1H3.
What are the key properties of N-hexyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-hexyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 268.34 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 16780808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).