6-(chloromethyl)-5-nitroimidazo[2,1-b][1,3]thiazole

C6H4ClN3O2S — CID 11252938

IUPAC6-(chloromethyl)-5-nitroimidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(CCl)nc2sccn12
InChIInChI=1S/C6H4ClN3O2S/c7-3-4-5(10(11)12)9-1-2-13-6(9)8-4/h1-2H,3H2
InChIKeyJGEXMARQPRRMEO-UHFFFAOYSA-N
MW217.64 g/mol
LogP2.04
Rot. Bonds2

About 6-(chloromethyl)-5-nitroimidazo[2,1-b][1,3]thiazole

6-(chloromethyl)-5-nitroimidazo[2,1-b][1,3]thiazole (PubChem CID 11252938) has the molecular formula C6H4ClN3O2S and a molecular weight of 217.64 g/mol. Its IUPAC name is 6-(chloromethyl)-5-nitroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(chloromethyl)-5-nitroimidazo[2,1-b][1,3]thiazole
PubChem CID11252938
Molecular FormulaC6H4ClN3O2S
Molecular Weight217.64 g/mol
Exact Mass216.97
IUPAC Name6-(chloromethyl)-5-nitroimidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(CCl)nc2sccn12
InChIInChI=1S/C6H4ClN3O2S/c7-3-4-5(10(11)12)9-1-2-13-6(9)8-4/h1-2H,3H2
InChIKeyJGEXMARQPRRMEO-UHFFFAOYSA-N
XLogP2.04
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.64
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

Imidazo(2,1-b)thiazole-5-carboximidamide, 6-chloro-N-hydroxy-
CID 5747923
6-(Bromomethyl)-5-nitroimidazo[2,1-b][1,3]thiazole
CID 45113541
6-Methyl-5-nitroimidazo[2,1-b][1,3]thiazole
CID 46881130
6-Chloroimidazo(2,1-b)thiazole-5-carboxaldehyde oxime
CID 333026
6-Chloro-5-nitroimidazo[2,1-b][1,3]thiazole
CID 301408
6-Chloroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde oxime
CID 9555500
5-(Chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole hydrochloride
CID 71779139
2-[(E)-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)methylideneamino]guanidine
CID 9572246
5-(Chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole
CID 10750069
5-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 55010252
5-(chloromethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 55010444
5-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 55010833

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-5-nitroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(chloromethyl)-5-nitroimidazo[2,1-b][1,3]thiazole (CID 11252938) is 6-(chloromethyl)-5-nitroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(chloromethyl)-5-nitroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(chloromethyl)-5-nitroimidazo[2,1-b][1,3]thiazole is O=[N+]([O-])c1c(CCl)nc2sccn12.
What is the InChIKey of 6-(chloromethyl)-5-nitroimidazo[2,1-b][1,3]thiazole?
The InChIKey is JGEXMARQPRRMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3O2S/c7-3-4-5(10(11)12)9-1-2-13-6(9)8-4/h1-2H,3H2.
What are the key properties of 6-(chloromethyl)-5-nitroimidazo[2,1-b][1,3]thiazole?
6-(chloromethyl)-5-nitroimidazo[2,1-b][1,3]thiazole has a molecular weight of 217.64 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-5-nitroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 11252938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).