2-(difluoromethoxy)-4-methyl-1,3-thiazole

C5H5F2NOS — CID 20719786

IUPAC2-(difluoromethoxy)-4-methyl-1,3-thiazole
SMILESCc1csc(OC(F)F)n1
InChIInChI=1S/C5H5F2NOS/c1-3-2-10-5(8-3)9-4(6)7/h2,4H,1H3
InChIKeyMJPJWKXNAHKENU-UHFFFAOYSA-N
MW165.16 g/mol
LogP2.05
Rot. Bonds2

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

2-(difluoromethoxy)-4-methyl-1,3-thiazole (PubChem CID 20719786) has the molecular formula C5H5F2NOS and a molecular weight of 165.16 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-methyl-1,3-thiazole
PubChem CID20719786
Molecular FormulaC5H5F2NOS
Molecular Weight165.16 g/mol
Exact Mass165.01
IUPAC Name2-(difluoromethoxy)-4-methyl-1,3-thiazole
SMILESCc1csc(OC(F)F)n1
InChIInChI=1S/C5H5F2NOS/c1-3-2-10-5(8-3)9-4(6)7/h2,4H,1H3
InChIKeyMJPJWKXNAHKENU-UHFFFAOYSA-N
XLogP2.05
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(difluoromethoxy)-4-methyl-1,3-thiazole (CID 20719786) is 2-(difluoromethoxy)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(difluoromethoxy)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(difluoromethoxy)-4-methyl-1,3-thiazole is Cc1csc(OC(F)F)n1.
What is the InChIKey of 2-(difluoromethoxy)-4-methyl-1,3-thiazole?
The InChIKey is MJPJWKXNAHKENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2NOS/c1-3-2-10-5(8-3)9-4(6)7/h2,4H,1H3.
What are the key properties of 2-(difluoromethoxy)-4-methyl-1,3-thiazole?
2-(difluoromethoxy)-4-methyl-1,3-thiazole has a molecular weight of 165.16 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-methyl-1,3-thiazole is sourced from PubChem (CID 20719786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).