4-(difluoromethoxy)-2,5-dimethyl-1,3-thiazole

C6H7F2NOS — CID 58947032

IUPAC4-(difluoromethoxy)-2,5-dimethyl-1,3-thiazole
SMILESCc1nc(OC(F)F)c(C)s1
InChIInChI=1S/C6H7F2NOS/c1-3-5(10-6(7)8)9-4(2)11-3/h6H,1-2H3
InChIKeyWQRWQAJOMUPGLJ-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.36
Rot. Bonds2

About 4-(difluoromethoxy)-2,5-dimethyl-1,3-thiazole

4-(difluoromethoxy)-2,5-dimethyl-1,3-thiazole (PubChem CID 58947032) has the molecular formula C6H7F2NOS and a molecular weight of 179.19 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name4-(difluoromethoxy)-2,5-dimethyl-1,3-thiazole
PubChem CID58947032
Molecular FormulaC6H7F2NOS
Molecular Weight179.19 g/mol
Exact Mass179.02
IUPAC Name4-(difluoromethoxy)-2,5-dimethyl-1,3-thiazole
SMILESCc1nc(OC(F)F)c(C)s1
InChIInChI=1S/C6H7F2NOS/c1-3-5(10-6(7)8)9-4(2)11-3/h6H,1-2H3
InChIKeyWQRWQAJOMUPGLJ-UHFFFAOYSA-N
XLogP2.36
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2,5-dimethyl-1,3-thiazole?
The IUPAC name of 4-(difluoromethoxy)-2,5-dimethyl-1,3-thiazole (CID 58947032) is 4-(difluoromethoxy)-2,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 4-(difluoromethoxy)-2,5-dimethyl-1,3-thiazole?
The canonical SMILES for 4-(difluoromethoxy)-2,5-dimethyl-1,3-thiazole is Cc1nc(OC(F)F)c(C)s1.
What is the InChIKey of 4-(difluoromethoxy)-2,5-dimethyl-1,3-thiazole?
The InChIKey is WQRWQAJOMUPGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NOS/c1-3-5(10-6(7)8)9-4(2)11-3/h6H,1-2H3.
What are the key properties of 4-(difluoromethoxy)-2,5-dimethyl-1,3-thiazole?
4-(difluoromethoxy)-2,5-dimethyl-1,3-thiazole has a molecular weight of 179.19 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 58947032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).