6-[(2-chloro-3-pyridinyl)oxy]-5-nitroimidazo[2,1-b][1,3]thiazole

C10H5ClN4O3S — CID 86972120

IUPAC6-[(2-chloro-3-pyridinyl)oxy]-5-nitroimidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(Oc2cccnc2Cl)nc2sccn12
InChIInChI=1S/C10H5ClN4O3S/c11-7-6(2-1-3-12-7)18-8-9(15(16)17)14-4-5-19-10(14)13-8/h1-5H
InChIKeyIQFPZQYSDXGZBD-UHFFFAOYSA-N
MW296.70 g/mol
LogP3.14
Rot. Bonds3

About 6-[(2-chloro-3-pyridinyl)oxy]-5-nitroimidazo[2,1-b][1,3]thiazole

6-[(2-chloro-3-pyridinyl)oxy]-5-nitroimidazo[2,1-b][1,3]thiazole (PubChem CID 86972120) has the molecular formula C10H5ClN4O3S and a molecular weight of 296.70 g/mol. Its IUPAC name is 6-[(2-chloro-3-pyridinyl)oxy]-5-nitroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(2-chloro-3-pyridinyl)oxy]-5-nitroimidazo[2,1-b][1,3]thiazole
PubChem CID86972120
Molecular FormulaC10H5ClN4O3S
Molecular Weight296.70 g/mol
Exact Mass295.98
IUPAC Name6-[(2-chloro-3-pyridinyl)oxy]-5-nitroimidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(Oc2cccnc2Cl)nc2sccn12
InChIInChI=1S/C10H5ClN4O3S/c11-7-6(2-1-3-12-7)18-8-9(15(16)17)14-4-5-19-10(14)13-8/h1-5H
InChIKeyIQFPZQYSDXGZBD-UHFFFAOYSA-N
XLogP3.14
TPSA82.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

6-(2,3-dichlorophenoxy)-5-nitroimidazo[2,1-b][1,3]thiazole
CID 47012917
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CID 18230478
6-[(2-chlorophenyl)methoxy]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 16780125
N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyethanamine
CID 62348908
5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 17440442
[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyphenyl]methanamine
CID 106485625
3-fluoro-4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybenzonitrile
CID 133376928
2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybutan-2-amine
CID 64574504
5-nitroimidazo[2,1-b][1,3]thiazole-6-carbaldehyde
CID 10703065
5-nitro-N-phenylimidazo[2,1-b][1,3]thiazol-6-amine
CID 16780377
6-(2-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole
CID 18095068
6-(4-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole
CID 1482508

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-3-pyridinyl)oxy]-5-nitroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(2-chloro-3-pyridinyl)oxy]-5-nitroimidazo[2,1-b][1,3]thiazole (CID 86972120) is 6-[(2-chloro-3-pyridinyl)oxy]-5-nitroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(2-chloro-3-pyridinyl)oxy]-5-nitroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(2-chloro-3-pyridinyl)oxy]-5-nitroimidazo[2,1-b][1,3]thiazole is O=[N+]([O-])c1c(Oc2cccnc2Cl)nc2sccn12.
What is the InChIKey of 6-[(2-chloro-3-pyridinyl)oxy]-5-nitroimidazo[2,1-b][1,3]thiazole?
The InChIKey is IQFPZQYSDXGZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN4O3S/c11-7-6(2-1-3-12-7)18-8-9(15(16)17)14-4-5-19-10(14)13-8/h1-5H.
What are the key properties of 6-[(2-chloro-3-pyridinyl)oxy]-5-nitroimidazo[2,1-b][1,3]thiazole?
6-[(2-chloro-3-pyridinyl)oxy]-5-nitroimidazo[2,1-b][1,3]thiazole has a molecular weight of 296.70 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-3-pyridinyl)oxy]-5-nitroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 86972120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).