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

C10H7ClN2O3S — CID 1484584

IUPAC2-chloro-5-[(4-nitrophenoxy)methyl]-1,3-thiazole
SMILESO=[N+]([O-])c1ccc(OCc2cnc(Cl)s2)cc1
InChIInChI=1S/C10H7ClN2O3S/c11-10-12-5-9(17-10)6-16-8-3-1-7(2-4-8)13(14)15/h1-5H,6H2
InChIKeyTZRUDDXHSVZKKB-UHFFFAOYSA-N
MW270.70 g/mol
LogP3.28
Rot. Bonds4

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

2-chloro-5-[(4-nitrophenoxy)methyl]-1,3-thiazole (PubChem CID 1484584) has the molecular formula C10H7ClN2O3S and a molecular weight of 270.70 g/mol. Its IUPAC name is 2-chloro-5-[(4-nitrophenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[(4-nitrophenoxy)methyl]-1,3-thiazole
PubChem CID1484584
Molecular FormulaC10H7ClN2O3S
Molecular Weight270.70 g/mol
Exact Mass269.99
IUPAC Name2-chloro-5-[(4-nitrophenoxy)methyl]-1,3-thiazole
SMILESO=[N+]([O-])c1ccc(OCc2cnc(Cl)s2)cc1
InChIInChI=1S/C10H7ClN2O3S/c11-10-12-5-9(17-10)6-16-8-3-1-7(2-4-8)13(14)15/h1-5H,6H2
InChIKeyTZRUDDXHSVZKKB-UHFFFAOYSA-N
XLogP3.28
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.70
LogP ≤ 53.28
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-nitrophenoxy)methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[(4-nitrophenoxy)methyl]-1,3-thiazole (CID 1484584) is 2-chloro-5-[(4-nitrophenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[(4-nitrophenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[(4-nitrophenoxy)methyl]-1,3-thiazole is O=[N+]([O-])c1ccc(OCc2cnc(Cl)s2)cc1.
What is the InChIKey of 2-chloro-5-[(4-nitrophenoxy)methyl]-1,3-thiazole?
The InChIKey is TZRUDDXHSVZKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3S/c11-10-12-5-9(17-10)6-16-8-3-1-7(2-4-8)13(14)15/h1-5H,6H2.
What are the key properties of 2-chloro-5-[(4-nitrophenoxy)methyl]-1,3-thiazole?
2-chloro-5-[(4-nitrophenoxy)methyl]-1,3-thiazole has a molecular weight of 270.70 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-nitrophenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 1484584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).