4-[(3,5-dichlorophenoxy)methyl]-2-thiophen-2-yl-1,3-thiazole

C14H9Cl2NOS2 — CID 2744091

IUPAC4-[(3,5-dichlorophenoxy)methyl]-2-thiophen-2-yl-1,3-thiazole
SMILESClc1cc(Cl)cc(OCc2csc(-c3cccs3)n2)c1
InChIInChI=1S/C14H9Cl2NOS2/c15-9-4-10(16)6-12(5-9)18-7-11-8-20-14(17-11)13-2-1-3-19-13/h1-6,8H,7H2
InChIKeyKFICUVGXMBETGX-UHFFFAOYSA-N
MW342.27 g/mol
LogP5.76
Rot. Bonds4

About 4-[(3,5-dichlorophenoxy)methyl]-2-thiophen-2-yl-1,3-thiazole

4-[(3,5-dichlorophenoxy)methyl]-2-thiophen-2-yl-1,3-thiazole (PubChem CID 2744091) has the molecular formula C14H9Cl2NOS2 and a molecular weight of 342.27 g/mol. Its IUPAC name is 4-[(3,5-dichlorophenoxy)methyl]-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[(3,5-dichlorophenoxy)methyl]-2-thiophen-2-yl-1,3-thiazole
PubChem CID2744091
Molecular FormulaC14H9Cl2NOS2
Molecular Weight342.27 g/mol
Exact Mass340.95
IUPAC Name4-[(3,5-dichlorophenoxy)methyl]-2-thiophen-2-yl-1,3-thiazole
SMILESClc1cc(Cl)cc(OCc2csc(-c3cccs3)n2)c1
InChIInChI=1S/C14H9Cl2NOS2/c15-9-4-10(16)6-12(5-9)18-7-11-8-20-14(17-11)13-2-1-3-19-13/h1-6,8H,7H2
InChIKeyKFICUVGXMBETGX-UHFFFAOYSA-N
XLogP5.76
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.27
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dichlorophenoxy)methyl]-2-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 4-[(3,5-dichlorophenoxy)methyl]-2-thiophen-2-yl-1,3-thiazole (CID 2744091) is 4-[(3,5-dichlorophenoxy)methyl]-2-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[(3,5-dichlorophenoxy)methyl]-2-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 4-[(3,5-dichlorophenoxy)methyl]-2-thiophen-2-yl-1,3-thiazole is Clc1cc(Cl)cc(OCc2csc(-c3cccs3)n2)c1.
What is the InChIKey of 4-[(3,5-dichlorophenoxy)methyl]-2-thiophen-2-yl-1,3-thiazole?
The InChIKey is KFICUVGXMBETGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NOS2/c15-9-4-10(16)6-12(5-9)18-7-11-8-20-14(17-11)13-2-1-3-19-13/h1-6,8H,7H2.
What are the key properties of 4-[(3,5-dichlorophenoxy)methyl]-2-thiophen-2-yl-1,3-thiazole?
4-[(3,5-dichlorophenoxy)methyl]-2-thiophen-2-yl-1,3-thiazole has a molecular weight of 342.27 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dichlorophenoxy)methyl]-2-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 2744091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).