5-(2-chloro-4-nitrophenoxy)-1,3-thiazole

C9H5ClN2O3S — CID 69491684

IUPAC5-(2-chloro-4-nitrophenoxy)-1,3-thiazole
SMILESO=[N+]([O-])c1ccc(Oc2cncs2)c(Cl)c1
InChIInChI=1S/C9H5ClN2O3S/c10-7-3-6(12(13)14)1-2-8(7)15-9-4-11-5-16-9/h1-5H
InChIKeyQDOZEIJUFVUCLI-UHFFFAOYSA-N
MW256.67 g/mol
LogP3.50
Rot. Bonds3

About 5-(2-chloro-4-nitrophenoxy)-1,3-thiazole

5-(2-chloro-4-nitrophenoxy)-1,3-thiazole (PubChem CID 69491684) has the molecular formula C9H5ClN2O3S and a molecular weight of 256.67 g/mol. Its IUPAC name is 5-(2-chloro-4-nitrophenoxy)-1,3-thiazole.

Molecular Properties

Compound Name5-(2-chloro-4-nitrophenoxy)-1,3-thiazole
PubChem CID69491684
Molecular FormulaC9H5ClN2O3S
Molecular Weight256.67 g/mol
Exact Mass255.97
IUPAC Name5-(2-chloro-4-nitrophenoxy)-1,3-thiazole
SMILESO=[N+]([O-])c1ccc(Oc2cncs2)c(Cl)c1
InChIInChI=1S/C9H5ClN2O3S/c10-7-3-6(12(13)14)1-2-8(7)15-9-4-11-5-16-9/h1-5H
InChIKeyQDOZEIJUFVUCLI-UHFFFAOYSA-N
XLogP3.50
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.67
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-(2-chloro-4-nitrophenoxy)-5-iodopyrimidine
CID 113459430
2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875
1,3-dichloro-2-(2-chloro-4-nitrophenoxy)benzene
CID 2794565
2-(2-chloro-4-nitrophenoxy)-5-nitrobenzonitrile
CID 4269103
2-chloro-4-(2-chloro-4-nitrophenoxy)-5-methylpyridine
CID 83268344
6-(2-chloro-4-nitrophenoxy)pyridin-3-amine
CID 114049044
2-chloro-1-(4-methylphenoxy)-4-nitrobenzene
CID 2210667
(2-chloro-4-nitrophenyl) acetate
CID 14345185
[6-(2-chloro-4-nitrophenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80921197
4-chloro-2-(2-chloro-4-nitrophenoxy)aniline
CID 67390461
2-chloro-1-(2,4-dibromophenoxy)-4-nitrobenzene
CID 5161397
4-(2-chloro-4-nitrophenoxy)thiophene-2-carboxylic acid
CID 66437146

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-nitrophenoxy)-1,3-thiazole?
The IUPAC name of 5-(2-chloro-4-nitrophenoxy)-1,3-thiazole (CID 69491684) is 5-(2-chloro-4-nitrophenoxy)-1,3-thiazole.
What is the SMILES notation for 5-(2-chloro-4-nitrophenoxy)-1,3-thiazole?
The canonical SMILES for 5-(2-chloro-4-nitrophenoxy)-1,3-thiazole is O=[N+]([O-])c1ccc(Oc2cncs2)c(Cl)c1.
What is the InChIKey of 5-(2-chloro-4-nitrophenoxy)-1,3-thiazole?
The InChIKey is QDOZEIJUFVUCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O3S/c10-7-3-6(12(13)14)1-2-8(7)15-9-4-11-5-16-9/h1-5H.
What are the key properties of 5-(2-chloro-4-nitrophenoxy)-1,3-thiazole?
5-(2-chloro-4-nitrophenoxy)-1,3-thiazole has a molecular weight of 256.67 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-nitrophenoxy)-1,3-thiazole is sourced from PubChem (CID 69491684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).