5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol

C11H16N4O3S — CID 107203480

IUPAC5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol
SMILESCN(CCCCCO)c1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3S/c1-13(5-3-2-4-7-16)9-10(15(17)18)14-6-8-19-11(14)12-9/h6,8,16H,2-5,7H2,1H3
InChIKeyAUNLDSYATCXDGK-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.90
Rot. Bonds7

About 5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol

5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol (PubChem CID 107203480) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol
PubChem CID107203480
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol
SMILESCN(CCCCCO)c1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3S/c1-13(5-3-2-4-7-16)9-10(15(17)18)14-6-8-19-11(14)12-9/h6,8,16H,2-5,7H2,1H3
InChIKeyAUNLDSYATCXDGK-UHFFFAOYSA-N
XLogP1.90
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol?
The IUPAC name of 5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol (CID 107203480) is 5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol.
What is the SMILES notation for 5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol?
The canonical SMILES for 5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol is CN(CCCCCO)c1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of 5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol?
The InChIKey is AUNLDSYATCXDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-13(5-3-2-4-7-16)9-10(15(17)18)14-6-8-19-11(14)12-9/h6,8,16H,2-5,7H2,1H3.
What are the key properties of 5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol?
5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol has a molecular weight of 284.34 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol is sourced from PubChem (CID 107203480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).