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

C10H6Cl2N2O3S — CID 79764621

IUPAC2-chloro-5-[(2-chloro-5-nitrophenoxy)methyl]-1,3-thiazole
SMILESO=[N+]([O-])c1ccc(Cl)c(OCc2cnc(Cl)s2)c1
InChIInChI=1S/C10H6Cl2N2O3S/c11-8-2-1-6(14(15)16)3-9(8)17-5-7-4-13-10(12)18-7/h1-4H,5H2
InChIKeyJQTYSRCPBUYIBV-UHFFFAOYSA-N
MW305.14 g/mol
LogP3.94
Rot. Bonds4

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

2-chloro-5-[(2-chloro-5-nitrophenoxy)methyl]-1,3-thiazole (PubChem CID 79764621) has the molecular formula C10H6Cl2N2O3S and a molecular weight of 305.14 g/mol. Its IUPAC name is 2-chloro-5-[(2-chloro-5-nitrophenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[(2-chloro-5-nitrophenoxy)methyl]-1,3-thiazole
PubChem CID79764621
Molecular FormulaC10H6Cl2N2O3S
Molecular Weight305.14 g/mol
Exact Mass303.95
IUPAC Name2-chloro-5-[(2-chloro-5-nitrophenoxy)methyl]-1,3-thiazole
SMILESO=[N+]([O-])c1ccc(Cl)c(OCc2cnc(Cl)s2)c1
InChIInChI=1S/C10H6Cl2N2O3S/c11-8-2-1-6(14(15)16)3-9(8)17-5-7-4-13-10(12)18-7/h1-4H,5H2
InChIKeyJQTYSRCPBUYIBV-UHFFFAOYSA-N
XLogP3.94
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.14
LogP ≤ 53.94
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-chloro-5-[(2-methoxy-4-nitrophenoxy)methyl]-1,3-thiazole
CID 79765252
5-[(2-chloro-4-nitrophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79761294
5-bromo-2-[(2-chloro-5-nitrophenoxy)methyl]pyridine
CID 113455750
3-[5-[(2-chloro-5-nitrophenoxy)methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 63991790
1-chloro-2-ethoxy-4-nitrobenzene
CID 69438761
2-chloro-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole
CID 79764993
2-[(2-chloro-5-nitrophenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 79484247
4-[(2-chloro-5-nitrophenoxy)methyl]-1-methylpyrazole
CID 79483172
2-(2-chloro-5-nitrophenoxy)acetaldehyde
CID 63990784
2-[(2-bromophenyl)methoxy]-1-chloro-4-nitrobenzene
CID 63990985
3-[(2-chloro-5-nitrophenoxy)methyl]aniline
CID 114308462
2-(2-chloro-5-nitrophenoxy)-N-ethylethanamine
CID 63990575

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-chloro-5-nitrophenoxy)methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[(2-chloro-5-nitrophenoxy)methyl]-1,3-thiazole (CID 79764621) is 2-chloro-5-[(2-chloro-5-nitrophenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[(2-chloro-5-nitrophenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[(2-chloro-5-nitrophenoxy)methyl]-1,3-thiazole is O=[N+]([O-])c1ccc(Cl)c(OCc2cnc(Cl)s2)c1.
What is the InChIKey of 2-chloro-5-[(2-chloro-5-nitrophenoxy)methyl]-1,3-thiazole?
The InChIKey is JQTYSRCPBUYIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O3S/c11-8-2-1-6(14(15)16)3-9(8)17-5-7-4-13-10(12)18-7/h1-4H,5H2.
What are the key properties of 2-chloro-5-[(2-chloro-5-nitrophenoxy)methyl]-1,3-thiazole?
2-chloro-5-[(2-chloro-5-nitrophenoxy)methyl]-1,3-thiazole has a molecular weight of 305.14 g/mol, XLogP of 3.94, 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-chloro-5-nitrophenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 79764621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).