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

C11H9F2NOS — CID 2742356

IUPAC4-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(OC(F)F)cc2)cs1
InChIInChI=1S/C11H9F2NOS/c1-7-14-10(6-16-7)8-2-4-9(5-3-8)15-11(12)13/h2-6,11H,1H3
InChIKeySONIBYRFEBKFMY-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.72
Rot. Bonds3

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

4-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-thiazole (PubChem CID 2742356) has the molecular formula C11H9F2NOS and a molecular weight of 241.26 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-thiazole
PubChem CID2742356
Molecular FormulaC11H9F2NOS
Molecular Weight241.26 g/mol
Exact Mass241.04
IUPAC Name4-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(OC(F)F)cc2)cs1
InChIInChI=1S/C11H9F2NOS/c1-7-14-10(6-16-7)8-2-4-9(5-3-8)15-11(12)13/h2-6,11H,1H3
InChIKeySONIBYRFEBKFMY-UHFFFAOYSA-N
XLogP3.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-thiazole (CID 2742356) is 4-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-thiazole is Cc1nc(-c2ccc(OC(F)F)cc2)cs1.
What is the InChIKey of 4-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-thiazole?
The InChIKey is SONIBYRFEBKFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NOS/c1-7-14-10(6-16-7)8-2-4-9(5-3-8)15-11(12)13/h2-6,11H,1H3.
What are the key properties of 4-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-thiazole?
4-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-thiazole has a molecular weight of 241.26 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 2742356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).