2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybutan-2-amine

C10H14N4O3S — CID 64574504

IUPAC2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybutan-2-amine
SMILESCCC(C)(N)COc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O3S/c1-3-10(2,11)6-17-7-8(14(15)16)13-4-5-18-9(13)12-7/h4-5H,3,6,11H2,1-2H3
InChIKeyXMYDVGXMYHBHNZ-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.81
Rot. Bonds5

About 2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybutan-2-amine

2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybutan-2-amine (PubChem CID 64574504) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybutan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybutan-2-amine
PubChem CID64574504
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybutan-2-amine
SMILESCCC(C)(N)COc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O3S/c1-3-10(2,11)6-17-7-8(14(15)16)13-4-5-18-9(13)12-7/h4-5H,3,6,11H2,1-2H3
InChIKeyXMYDVGXMYHBHNZ-UHFFFAOYSA-N
XLogP1.81
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.81
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybutan-2-amine?
The IUPAC name of 2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybutan-2-amine (CID 64574504) is 2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybutan-2-amine.
What is the SMILES notation for 2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybutan-2-amine?
The canonical SMILES for 2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybutan-2-amine is CCC(C)(N)COc1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of 2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybutan-2-amine?
The InChIKey is XMYDVGXMYHBHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c1-3-10(2,11)6-17-7-8(14(15)16)13-4-5-18-9(13)12-7/h4-5H,3,6,11H2,1-2H3.
What are the key properties of 2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybutan-2-amine?
2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybutan-2-amine has a molecular weight of 270.31 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybutan-2-amine is sourced from PubChem (CID 64574504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).