2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazole

C10H5ClF3NOS — CID 175748253

IUPAC2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazole
SMILESFC(F)(F)Oc1ccc(-c2nccs2)cc1Cl
InChIInChI=1S/C10H5ClF3NOS/c11-7-5-6(9-15-3-4-17-9)1-2-8(7)16-10(12,13)14/h1-5H
InChIKeyOSLXTOIOAJUOIW-UHFFFAOYSA-N
MW279.67 g/mol
LogP4.36
Rot. Bonds2

About 2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazole

2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazole (PubChem CID 175748253) has the molecular formula C10H5ClF3NOS and a molecular weight of 279.67 g/mol. Its IUPAC name is 2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazole
PubChem CID175748253
Molecular FormulaC10H5ClF3NOS
Molecular Weight279.67 g/mol
Exact Mass278.97
IUPAC Name2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazole
SMILESFC(F)(F)Oc1ccc(-c2nccs2)cc1Cl
InChIInChI=1S/C10H5ClF3NOS/c11-7-5-6(9-15-3-4-17-9)1-2-8(7)16-10(12,13)14/h1-5H
InChIKeyOSLXTOIOAJUOIW-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazole?
The IUPAC name of 2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazole (CID 175748253) is 2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazole?
The canonical SMILES for 2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazole is FC(F)(F)Oc1ccc(-c2nccs2)cc1Cl.
What is the InChIKey of 2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazole?
The InChIKey is OSLXTOIOAJUOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3NOS/c11-7-5-6(9-15-3-4-17-9)1-2-8(7)16-10(12,13)14/h1-5H.
What are the key properties of 2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazole?
2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazole has a molecular weight of 279.67 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazole is sourced from PubChem (CID 175748253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).