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

C7H9F2NOS — CID 126954607

IUPAC2-(2,2-difluoroethoxy)-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(OCC(F)F)sc1C
InChIInChI=1S/C7H9F2NOS/c1-4-5(2)12-7(10-4)11-3-6(8)9/h6H,3H2,1-2H3
InChIKeyBJAPSBJTSSZXNS-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.40
Rot. Bonds3

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

2-(2,2-difluoroethoxy)-4,5-dimethyl-1,3-thiazole (PubChem CID 126954607) has the molecular formula C7H9F2NOS and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-4,5-dimethyl-1,3-thiazole
PubChem CID126954607
Molecular FormulaC7H9F2NOS
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Name2-(2,2-difluoroethoxy)-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(OCC(F)F)sc1C
InChIInChI=1S/C7H9F2NOS/c1-4-5(2)12-7(10-4)11-3-6(8)9/h6H,3H2,1-2H3
InChIKeyBJAPSBJTSSZXNS-UHFFFAOYSA-N
XLogP2.40
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-(2,2-difluoroethoxy)-4,5-dimethyl-1,3-thiazole (CID 126954607) is 2-(2,2-difluoroethoxy)-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-(2,2-difluoroethoxy)-4,5-dimethyl-1,3-thiazole is Cc1nc(OCC(F)F)sc1C.
What is the InChIKey of 2-(2,2-difluoroethoxy)-4,5-dimethyl-1,3-thiazole?
The InChIKey is BJAPSBJTSSZXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NOS/c1-4-5(2)12-7(10-4)11-3-6(8)9/h6H,3H2,1-2H3.
What are the key properties of 2-(2,2-difluoroethoxy)-4,5-dimethyl-1,3-thiazole?
2-(2,2-difluoroethoxy)-4,5-dimethyl-1,3-thiazole has a molecular weight of 193.22 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 126954607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).