5-methoxy-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentanoic acid

C11H14N4O5S — CID 81084007

IUPAC5-methoxy-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentanoic acid
SMILESCOCCCC(Nc1nc2sccn2c1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C11H14N4O5S/c1-20-5-2-3-7(10(16)17)12-8-9(15(18)19)14-4-6-21-11(14)13-8/h4,6-7,12H,2-3,5H2,1H3,(H,16,17)
InChIKeyVPCUINRWWPXBMY-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.60
Rot. Bonds8

About 5-methoxy-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentanoic acid

5-methoxy-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentanoic acid (PubChem CID 81084007) has the molecular formula C11H14N4O5S and a molecular weight of 314.32 g/mol. Its IUPAC name is 5-methoxy-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentanoic acid
PubChem CID81084007
Molecular FormulaC11H14N4O5S
Molecular Weight314.32 g/mol
Exact Mass314.07
IUPAC Name5-methoxy-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentanoic acid
SMILESCOCCCC(Nc1nc2sccn2c1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C11H14N4O5S/c1-20-5-2-3-7(10(16)17)12-8-9(15(18)19)14-4-6-21-11(14)13-8/h4,6-7,12H,2-3,5H2,1H3,(H,16,17)
InChIKeyVPCUINRWWPXBMY-UHFFFAOYSA-N
XLogP1.60
TPSA119.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-methoxy-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentanoic acid?
The IUPAC name of 5-methoxy-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentanoic acid (CID 81084007) is 5-methoxy-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentanoic acid.
What is the SMILES notation for 5-methoxy-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentanoic acid?
The canonical SMILES for 5-methoxy-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentanoic acid is COCCCC(Nc1nc2sccn2c1[N+](=O)[O-])C(=O)O.
What is the InChIKey of 5-methoxy-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentanoic acid?
The InChIKey is VPCUINRWWPXBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O5S/c1-20-5-2-3-7(10(16)17)12-8-9(15(18)19)14-4-6-21-11(14)13-8/h4,6-7,12H,2-3,5H2,1H3,(H,16,17).
What are the key properties of 5-methoxy-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentanoic acid?
5-methoxy-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentanoic acid has a molecular weight of 314.32 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentanoic acid is sourced from PubChem (CID 81084007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).