4-(chloromethyl)-2-[2-(2,4-difluorophenoxy)ethyl]-1,3-thiazole

C12H10ClF2NOS — CID 43138216

IUPAC4-(chloromethyl)-2-[2-(2,4-difluorophenoxy)ethyl]-1,3-thiazole
SMILESFc1ccc(OCCc2nc(CCl)cs2)c(F)c1
InChIInChI=1S/C12H10ClF2NOS/c13-6-9-7-18-12(16-9)3-4-17-11-2-1-8(14)5-10(11)15/h1-2,5,7H,3-4,6H2
InChIKeyUZUQCHQAWRYREC-UHFFFAOYSA-N
MW289.73 g/mol
LogP3.78
Rot. Bonds5

About 4-(chloromethyl)-2-[2-(2,4-difluorophenoxy)ethyl]-1,3-thiazole

4-(chloromethyl)-2-[2-(2,4-difluorophenoxy)ethyl]-1,3-thiazole (PubChem CID 43138216) has the molecular formula C12H10ClF2NOS and a molecular weight of 289.73 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[2-(2,4-difluorophenoxy)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[2-(2,4-difluorophenoxy)ethyl]-1,3-thiazole
PubChem CID43138216
Molecular FormulaC12H10ClF2NOS
Molecular Weight289.73 g/mol
Exact Mass289.01
IUPAC Name4-(chloromethyl)-2-[2-(2,4-difluorophenoxy)ethyl]-1,3-thiazole
SMILESFc1ccc(OCCc2nc(CCl)cs2)c(F)c1
InChIInChI=1S/C12H10ClF2NOS/c13-6-9-7-18-12(16-9)3-4-17-11-2-1-8(14)5-10(11)15/h1-2,5,7H,3-4,6H2
InChIKeyUZUQCHQAWRYREC-UHFFFAOYSA-N
XLogP3.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[2-(2,4-difluorophenoxy)ethyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[2-(2,4-difluorophenoxy)ethyl]-1,3-thiazole (CID 43138216) is 4-(chloromethyl)-2-[2-(2,4-difluorophenoxy)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[2-(2,4-difluorophenoxy)ethyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[2-(2,4-difluorophenoxy)ethyl]-1,3-thiazole is Fc1ccc(OCCc2nc(CCl)cs2)c(F)c1.
What is the InChIKey of 4-(chloromethyl)-2-[2-(2,4-difluorophenoxy)ethyl]-1,3-thiazole?
The InChIKey is UZUQCHQAWRYREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2NOS/c13-6-9-7-18-12(16-9)3-4-17-11-2-1-8(14)5-10(11)15/h1-2,5,7H,3-4,6H2.
What are the key properties of 4-(chloromethyl)-2-[2-(2,4-difluorophenoxy)ethyl]-1,3-thiazole?
4-(chloromethyl)-2-[2-(2,4-difluorophenoxy)ethyl]-1,3-thiazole has a molecular weight of 289.73 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[2-(2,4-difluorophenoxy)ethyl]-1,3-thiazole is sourced from PubChem (CID 43138216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).