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

C9H12N4O2S — CID 16779963

IUPACN-butan-2-yl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCC(C)Nc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C9H12N4O2S/c1-3-6(2)10-7-8(13(14)15)12-4-5-16-9(12)11-7/h4-6,10H,3H2,1-2H3
InChIKeyJHLVSCUEPHPJLI-UHFFFAOYSA-N
MW240.29 g/mol
LogP2.51
Rot. Bonds4

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

N-butan-2-yl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 16779963) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is N-butan-2-yl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID16779963
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC NameN-butan-2-yl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCC(C)Nc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C9H12N4O2S/c1-3-6(2)10-7-8(13(14)15)12-4-5-16-9(12)11-7/h4-6,10H,3H2,1-2H3
InChIKeyJHLVSCUEPHPJLI-UHFFFAOYSA-N
XLogP2.51
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 52.51
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'}

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-butan-2-yl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 16779963) is N-butan-2-yl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-butan-2-yl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-butan-2-yl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is CCC(C)Nc1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of N-butan-2-yl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is JHLVSCUEPHPJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c1-3-6(2)10-7-8(13(14)15)12-4-5-16-9(12)11-7/h4-6,10H,3H2,1-2H3.
What are the key properties of N-butan-2-yl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-butan-2-yl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 240.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 16779963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).