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

C11H5Cl2N3O3S — CID 47012917

IUPAC6-(2,3-dichlorophenoxy)-5-nitroimidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(Oc2cccc(Cl)c2Cl)nc2sccn12
InChIInChI=1S/C11H5Cl2N3O3S/c12-6-2-1-3-7(8(6)13)19-9-10(16(17)18)15-4-5-20-11(15)14-9/h1-5H
InChIKeyOSGVLZSRYZIWTP-UHFFFAOYSA-N
MW330.15 g/mol
LogP4.40
Rot. Bonds3

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

6-(2,3-dichlorophenoxy)-5-nitroimidazo[2,1-b][1,3]thiazole (PubChem CID 47012917) has the molecular formula C11H5Cl2N3O3S and a molecular weight of 330.15 g/mol. Its IUPAC name is 6-(2,3-dichlorophenoxy)-5-nitroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(2,3-dichlorophenoxy)-5-nitroimidazo[2,1-b][1,3]thiazole
PubChem CID47012917
Molecular FormulaC11H5Cl2N3O3S
Molecular Weight330.15 g/mol
Exact Mass328.94
IUPAC Name6-(2,3-dichlorophenoxy)-5-nitroimidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(Oc2cccc(Cl)c2Cl)nc2sccn12
InChIInChI=1S/C11H5Cl2N3O3S/c12-6-2-1-3-7(8(6)13)19-9-10(16(17)18)15-4-5-20-11(15)14-9/h1-5H
InChIKeyOSGVLZSRYZIWTP-UHFFFAOYSA-N
XLogP4.40
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 54.40
H-Bond Donors ≤ 50
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

6-[(2-chloro-3-pyridinyl)oxy]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 86972120
[6-(2,3-dichlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43476053
6-[(2-chlorophenyl)methoxy]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 16780125
5-nitro-6-(5-nitroquinolin-8-yl)oxyimidazo[2,1-b][1,3]thiazole
CID 18230478
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
6-(2-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole
CID 18095068
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)oxypyridine-3-carboxylic acid
CID 63851554
2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybutan-2-amine
CID 64574504
[6-(3-chloro-2-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 116689579

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichlorophenoxy)-5-nitroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(2,3-dichlorophenoxy)-5-nitroimidazo[2,1-b][1,3]thiazole (CID 47012917) is 6-(2,3-dichlorophenoxy)-5-nitroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(2,3-dichlorophenoxy)-5-nitroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(2,3-dichlorophenoxy)-5-nitroimidazo[2,1-b][1,3]thiazole is O=[N+]([O-])c1c(Oc2cccc(Cl)c2Cl)nc2sccn12.
What is the InChIKey of 6-(2,3-dichlorophenoxy)-5-nitroimidazo[2,1-b][1,3]thiazole?
The InChIKey is OSGVLZSRYZIWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2N3O3S/c12-6-2-1-3-7(8(6)13)19-9-10(16(17)18)15-4-5-20-11(15)14-9/h1-5H.
What are the key properties of 6-(2,3-dichlorophenoxy)-5-nitroimidazo[2,1-b][1,3]thiazole?
6-(2,3-dichlorophenoxy)-5-nitroimidazo[2,1-b][1,3]thiazole has a molecular weight of 330.15 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichlorophenoxy)-5-nitroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 47012917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).