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

C10H7F2NOS — CID 66694969

IUPAC2-[4-(difluoromethoxy)phenyl]-1,3-thiazole
SMILESFC(F)Oc1ccc(-c2nccs2)cc1
InChIInChI=1S/C10H7F2NOS/c11-10(12)14-8-3-1-7(2-4-8)9-13-5-6-15-9/h1-6,10H
InChIKeyUPMMLSFWJIRRQJ-UHFFFAOYSA-N
MW227.24 g/mol
LogP3.41
Rot. Bonds3

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

2-[4-(difluoromethoxy)phenyl]-1,3-thiazole (PubChem CID 66694969) has the molecular formula C10H7F2NOS and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-1,3-thiazole
PubChem CID66694969
Molecular FormulaC10H7F2NOS
Molecular Weight227.24 g/mol
Exact Mass227.02
IUPAC Name2-[4-(difluoromethoxy)phenyl]-1,3-thiazole
SMILESFC(F)Oc1ccc(-c2nccs2)cc1
InChIInChI=1S/C10H7F2NOS/c11-10(12)14-8-3-1-7(2-4-8)9-13-5-6-15-9/h1-6,10H
InChIKeyUPMMLSFWJIRRQJ-UHFFFAOYSA-N
XLogP3.41
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-1,3-thiazole?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-1,3-thiazole (CID 66694969) is 2-[4-(difluoromethoxy)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-1,3-thiazole?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-1,3-thiazole is FC(F)Oc1ccc(-c2nccs2)cc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-1,3-thiazole?
The InChIKey is UPMMLSFWJIRRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NOS/c11-10(12)14-8-3-1-7(2-4-8)9-13-5-6-15-9/h1-6,10H.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-1,3-thiazole?
2-[4-(difluoromethoxy)phenyl]-1,3-thiazole has a molecular weight of 227.24 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-1,3-thiazole is sourced from PubChem (CID 66694969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).