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

C10H5ClF2N2O3S — CID 79764111

IUPAC2-chloro-5-[(2,5-difluoro-4-nitrophenoxy)methyl]-1,3-thiazole
SMILESO=[N+]([O-])c1cc(F)c(OCc2cnc(Cl)s2)cc1F
InChIInChI=1S/C10H5ClF2N2O3S/c11-10-14-3-5(19-10)4-18-9-2-6(12)8(15(16)17)1-7(9)13/h1-3H,4H2
InChIKeyAUBIUFMTQMHVGW-UHFFFAOYSA-N
MW306.68 g/mol
LogP3.56
Rot. Bonds4

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

2-chloro-5-[(2,5-difluoro-4-nitrophenoxy)methyl]-1,3-thiazole (PubChem CID 79764111) has the molecular formula C10H5ClF2N2O3S and a molecular weight of 306.68 g/mol. Its IUPAC name is 2-chloro-5-[(2,5-difluoro-4-nitrophenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[(2,5-difluoro-4-nitrophenoxy)methyl]-1,3-thiazole
PubChem CID79764111
Molecular FormulaC10H5ClF2N2O3S
Molecular Weight306.68 g/mol
Exact Mass305.97
IUPAC Name2-chloro-5-[(2,5-difluoro-4-nitrophenoxy)methyl]-1,3-thiazole
SMILESO=[N+]([O-])c1cc(F)c(OCc2cnc(Cl)s2)cc1F
InChIInChI=1S/C10H5ClF2N2O3S/c11-10-14-3-5(19-10)4-18-9-2-6(12)8(15(16)17)1-7(9)13/h1-3H,4H2
InChIKeyAUBIUFMTQMHVGW-UHFFFAOYSA-N
XLogP3.56
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.68
LogP ≤ 53.56
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'}

Analyze 2-chloro-5-[(2,5-difluoro-4-nitrophenoxy)methyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,5-difluoro-4-nitrophenoxy)methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[(2,5-difluoro-4-nitrophenoxy)methyl]-1,3-thiazole (CID 79764111) is 2-chloro-5-[(2,5-difluoro-4-nitrophenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[(2,5-difluoro-4-nitrophenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[(2,5-difluoro-4-nitrophenoxy)methyl]-1,3-thiazole is O=[N+]([O-])c1cc(F)c(OCc2cnc(Cl)s2)cc1F.
What is the InChIKey of 2-chloro-5-[(2,5-difluoro-4-nitrophenoxy)methyl]-1,3-thiazole?
The InChIKey is AUBIUFMTQMHVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF2N2O3S/c11-10-14-3-5(19-10)4-18-9-2-6(12)8(15(16)17)1-7(9)13/h1-3H,4H2.
What are the key properties of 2-chloro-5-[(2,5-difluoro-4-nitrophenoxy)methyl]-1,3-thiazole?
2-chloro-5-[(2,5-difluoro-4-nitrophenoxy)methyl]-1,3-thiazole has a molecular weight of 306.68 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,5-difluoro-4-nitrophenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 79764111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).