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

C8H7N3O4S — CID 104571144

IUPAC2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid
SMILESCC(C(=O)O)c1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C8H7N3O4S/c1-4(7(12)13)5-6(11(14)15)10-2-3-16-8(10)9-5/h2-4H,1H3,(H,12,13)
InChIKeyLXXJGQXERJCENA-UHFFFAOYSA-N
MW241.23 g/mol
LogP1.49
Rot. Bonds3

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

2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid (PubChem CID 104571144) has the molecular formula C8H7N3O4S and a molecular weight of 241.23 g/mol. Its IUPAC name is 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid
PubChem CID104571144
Molecular FormulaC8H7N3O4S
Molecular Weight241.23 g/mol
Exact Mass241.02
IUPAC Name2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid
SMILESCC(C(=O)O)c1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C8H7N3O4S/c1-4(7(12)13)5-6(11(14)15)10-2-3-16-8(10)9-5/h2-4H,1H3,(H,12,13)
InChIKeyLXXJGQXERJCENA-UHFFFAOYSA-N
XLogP1.49
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 51.49
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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Related Compounds

3-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)butan-2-amine
CID 63198309
ethyl 2-cyano-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)acetate
CID 104571347
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpropan-1-ol
CID 115659063
4-methyl-3-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-N-propylpentan-2-amine
CID 63197477
3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]butanoic acid
CID 43471124
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylbutanoic acid
CID 105354795
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid
CID 3741324
5-nitroimidazo[2,1-b][1,3]thiazole-6-carbaldehyde
CID 10703065
5-nitro-N-[(2S)-pentan-2-yl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 30065324
5-methoxy-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentanoic acid
CID 81084007
3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-propan-2-ylpropanamide
CID 115578507
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-1-phenylethanol
CID 63201214

Frequently Asked Questions

What is the IUPAC name of 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid?
The IUPAC name of 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid (CID 104571144) is 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid.
What is the SMILES notation for 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid?
The canonical SMILES for 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid is CC(C(=O)O)c1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid?
The InChIKey is LXXJGQXERJCENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O4S/c1-4(7(12)13)5-6(11(14)15)10-2-3-16-8(10)9-5/h2-4H,1H3,(H,12,13).
What are the key properties of 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid?
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid has a molecular weight of 241.23 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid is sourced from PubChem (CID 104571144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).