4-chloro-5-(chloromethyl)-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole

C11H6Cl2F3NOS — CID 73012770

IUPAC4-chloro-5-(chloromethyl)-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole
SMILESFC(F)(F)c1ccc(Oc2nc(Cl)c(CCl)s2)cc1
InChIInChI=1S/C11H6Cl2F3NOS/c12-5-8-9(13)17-10(19-8)18-7-3-1-6(2-4-7)11(14,15)16/h1-4H,5H2
InChIKeyZEPQWBRAYUDYDA-UHFFFAOYSA-N
MW328.14 g/mol
LogP5.35
Rot. Bonds3

About 4-chloro-5-(chloromethyl)-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole

4-chloro-5-(chloromethyl)-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole (PubChem CID 73012770) has the molecular formula C11H6Cl2F3NOS and a molecular weight of 328.14 g/mol. Its IUPAC name is 4-chloro-5-(chloromethyl)-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-5-(chloromethyl)-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole
PubChem CID73012770
Molecular FormulaC11H6Cl2F3NOS
Molecular Weight328.14 g/mol
Exact Mass326.95
IUPAC Name4-chloro-5-(chloromethyl)-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole
SMILESFC(F)(F)c1ccc(Oc2nc(Cl)c(CCl)s2)cc1
InChIInChI=1S/C11H6Cl2F3NOS/c12-5-8-9(13)17-10(19-8)18-7-3-1-6(2-4-7)11(14,15)16/h1-4H,5H2
InChIKeyZEPQWBRAYUDYDA-UHFFFAOYSA-N
XLogP5.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.14
LogP ≤ 55.35
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-chloro-5-(chloromethyl)-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole?
The IUPAC name of 4-chloro-5-(chloromethyl)-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole (CID 73012770) is 4-chloro-5-(chloromethyl)-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole.
What is the SMILES notation for 4-chloro-5-(chloromethyl)-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole?
The canonical SMILES for 4-chloro-5-(chloromethyl)-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole is FC(F)(F)c1ccc(Oc2nc(Cl)c(CCl)s2)cc1.
What is the InChIKey of 4-chloro-5-(chloromethyl)-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole?
The InChIKey is ZEPQWBRAYUDYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2F3NOS/c12-5-8-9(13)17-10(19-8)18-7-3-1-6(2-4-7)11(14,15)16/h1-4H,5H2.
What are the key properties of 4-chloro-5-(chloromethyl)-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole?
4-chloro-5-(chloromethyl)-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole has a molecular weight of 328.14 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(chloromethyl)-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole is sourced from PubChem (CID 73012770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).