5-nitroimidazo[2,1-b][1,3]thiazole-6-carbaldehyde

C6H3N3O3S — CID 10703065

IUPAC5-nitroimidazo[2,1-b][1,3]thiazole-6-carbaldehyde
SMILESO=Cc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C6H3N3O3S/c10-3-4-5(9(11)12)8-1-2-13-6(8)7-4/h1-3H
InChIKeyZVMHKNLKJJRBJT-UHFFFAOYSA-N
MW197.18 g/mol
LogP1.12
Rot. Bonds2

About 5-nitroimidazo[2,1-b][1,3]thiazole-6-carbaldehyde

5-nitroimidazo[2,1-b][1,3]thiazole-6-carbaldehyde (PubChem CID 10703065) has the molecular formula C6H3N3O3S and a molecular weight of 197.18 g/mol. Its IUPAC name is 5-nitroimidazo[2,1-b][1,3]thiazole-6-carbaldehyde.

Molecular Properties

Compound Name5-nitroimidazo[2,1-b][1,3]thiazole-6-carbaldehyde
PubChem CID10703065
Molecular FormulaC6H3N3O3S
Molecular Weight197.18 g/mol
Exact Mass196.99
IUPAC Name5-nitroimidazo[2,1-b][1,3]thiazole-6-carbaldehyde
SMILESO=Cc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C6H3N3O3S/c10-3-4-5(9(11)12)8-1-2-13-6(8)7-4/h1-3H
InChIKeyZVMHKNLKJJRBJT-UHFFFAOYSA-N
XLogP1.12
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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
6-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 11088225
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid
CID 3741324
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid
CID 104571144
5-nitro-N-phenylimidazo[2,1-b][1,3]thiazol-6-amine
CID 16780377
N-(cyclobutylmethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 43427706
4-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,4-diamine
CID 43471134
[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyphenyl]methanamine
CID 106485625
4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenol
CID 54911188
6-(4-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole
CID 1482508
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpropan-1-ol
CID 115659063
6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 18095379

Frequently Asked Questions

What is the IUPAC name of 5-nitroimidazo[2,1-b][1,3]thiazole-6-carbaldehyde?
The IUPAC name of 5-nitroimidazo[2,1-b][1,3]thiazole-6-carbaldehyde (CID 10703065) is 5-nitroimidazo[2,1-b][1,3]thiazole-6-carbaldehyde.
What is the SMILES notation for 5-nitroimidazo[2,1-b][1,3]thiazole-6-carbaldehyde?
The canonical SMILES for 5-nitroimidazo[2,1-b][1,3]thiazole-6-carbaldehyde is O=Cc1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of 5-nitroimidazo[2,1-b][1,3]thiazole-6-carbaldehyde?
The InChIKey is ZVMHKNLKJJRBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3O3S/c10-3-4-5(9(11)12)8-1-2-13-6(8)7-4/h1-3H.
What are the key properties of 5-nitroimidazo[2,1-b][1,3]thiazole-6-carbaldehyde?
5-nitroimidazo[2,1-b][1,3]thiazole-6-carbaldehyde has a molecular weight of 197.18 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitroimidazo[2,1-b][1,3]thiazole-6-carbaldehyde is sourced from PubChem (CID 10703065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).