2-(4-chlorophenoxy)-4-(trifluoromethyl)-1,3-thiazole

C10H5ClF3NOS — CID 133381573

IUPAC2-(4-chlorophenoxy)-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C10H5ClF3NOS/c11-6-1-3-7(4-2-6)16-9-15-8(5-17-9)10(12,13)14/h1-5H
InChIKeyZSSCKTLMWZMDOO-UHFFFAOYSA-N
MW279.67 g/mol
LogP4.61
Rot. Bonds2

About 2-(4-chlorophenoxy)-4-(trifluoromethyl)-1,3-thiazole

2-(4-chlorophenoxy)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 133381573) has the molecular formula C10H5ClF3NOS and a molecular weight of 279.67 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID133381573
Molecular FormulaC10H5ClF3NOS
Molecular Weight279.67 g/mol
Exact Mass278.97
IUPAC Name2-(4-chlorophenoxy)-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C10H5ClF3NOS/c11-6-1-3-7(4-2-6)16-9-15-8(5-17-9)10(12,13)14/h1-5H
InChIKeyZSSCKTLMWZMDOO-UHFFFAOYSA-N
XLogP4.61
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.67
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(4-chlorophenoxy)-4-(trifluoromethyl)-1,3-thiazole (CID 133381573) is 2-(4-chlorophenoxy)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-chlorophenoxy)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(4-chlorophenoxy)-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(Oc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is ZSSCKTLMWZMDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3NOS/c11-6-1-3-7(4-2-6)16-9-15-8(5-17-9)10(12,13)14/h1-5H.
What are the key properties of 2-(4-chlorophenoxy)-4-(trifluoromethyl)-1,3-thiazole?
2-(4-chlorophenoxy)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 279.67 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 133381573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).