2-chloro-5-[2-(2-nitrophenyl)ethyl]-1,3-thiazole

C11H9ClN2O2S — CID 1472892

IUPAC2-chloro-5-[2-(2-nitrophenyl)ethyl]-1,3-thiazole
SMILESO=[N+]([O-])c1ccccc1CCc1cnc(Cl)s1
InChIInChI=1S/C11H9ClN2O2S/c12-11-13-7-9(17-11)6-5-8-3-1-2-4-10(8)14(15)16/h1-4,7H,5-6H2
InChIKeyFAENDJJQRXQEGC-UHFFFAOYSA-N
MW268.73 g/mol
LogP3.49
Rot. Bonds4

About 2-chloro-5-[2-(2-nitrophenyl)ethyl]-1,3-thiazole

2-chloro-5-[2-(2-nitrophenyl)ethyl]-1,3-thiazole (PubChem CID 1472892) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.73 g/mol. Its IUPAC name is 2-chloro-5-[2-(2-nitrophenyl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[2-(2-nitrophenyl)ethyl]-1,3-thiazole
PubChem CID1472892
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.73 g/mol
Exact Mass268.01
IUPAC Name2-chloro-5-[2-(2-nitrophenyl)ethyl]-1,3-thiazole
SMILESO=[N+]([O-])c1ccccc1CCc1cnc(Cl)s1
InChIInChI=1S/C11H9ClN2O2S/c12-11-13-7-9(17-11)6-5-8-3-1-2-4-10(8)14(15)16/h1-4,7H,5-6H2
InChIKeyFAENDJJQRXQEGC-UHFFFAOYSA-N
XLogP3.49
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(2-nitrophenyl)ethyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[2-(2-nitrophenyl)ethyl]-1,3-thiazole (CID 1472892) is 2-chloro-5-[2-(2-nitrophenyl)ethyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[2-(2-nitrophenyl)ethyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[2-(2-nitrophenyl)ethyl]-1,3-thiazole is O=[N+]([O-])c1ccccc1CCc1cnc(Cl)s1.
What is the InChIKey of 2-chloro-5-[2-(2-nitrophenyl)ethyl]-1,3-thiazole?
The InChIKey is FAENDJJQRXQEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c12-11-13-7-9(17-11)6-5-8-3-1-2-4-10(8)14(15)16/h1-4,7H,5-6H2.
What are the key properties of 2-chloro-5-[2-(2-nitrophenyl)ethyl]-1,3-thiazole?
2-chloro-5-[2-(2-nitrophenyl)ethyl]-1,3-thiazole has a molecular weight of 268.73 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(2-nitrophenyl)ethyl]-1,3-thiazole is sourced from PubChem (CID 1472892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).