4-chloro-2-(2,2-difluoroethoxy)-1,3-thiazole

C5H4ClF2NOS — CID 83152988

IUPAC4-chloro-2-(2,2-difluoroethoxy)-1,3-thiazole
SMILESFC(F)COc1nc(Cl)cs1
InChIInChI=1S/C5H4ClF2NOS/c6-3-2-11-5(9-3)10-1-4(7)8/h2,4H,1H2
InChIKeyQZAIFVQBELZDSE-UHFFFAOYSA-N
MW199.61 g/mol
LogP2.44
Rot. Bonds3

About 4-chloro-2-(2,2-difluoroethoxy)-1,3-thiazole

4-chloro-2-(2,2-difluoroethoxy)-1,3-thiazole (PubChem CID 83152988) has the molecular formula C5H4ClF2NOS and a molecular weight of 199.61 g/mol. Its IUPAC name is 4-chloro-2-(2,2-difluoroethoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(2,2-difluoroethoxy)-1,3-thiazole
PubChem CID83152988
Molecular FormulaC5H4ClF2NOS
Molecular Weight199.61 g/mol
Exact Mass198.97
IUPAC Name4-chloro-2-(2,2-difluoroethoxy)-1,3-thiazole
SMILESFC(F)COc1nc(Cl)cs1
InChIInChI=1S/C5H4ClF2NOS/c6-3-2-11-5(9-3)10-1-4(7)8/h2,4H,1H2
InChIKeyQZAIFVQBELZDSE-UHFFFAOYSA-N
XLogP2.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.61
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,2-difluoroethoxy)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(2,2-difluoroethoxy)-1,3-thiazole (CID 83152988) is 4-chloro-2-(2,2-difluoroethoxy)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(2,2-difluoroethoxy)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(2,2-difluoroethoxy)-1,3-thiazole is FC(F)COc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-2-(2,2-difluoroethoxy)-1,3-thiazole?
The InChIKey is QZAIFVQBELZDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF2NOS/c6-3-2-11-5(9-3)10-1-4(7)8/h2,4H,1H2.
What are the key properties of 4-chloro-2-(2,2-difluoroethoxy)-1,3-thiazole?
4-chloro-2-(2,2-difluoroethoxy)-1,3-thiazole has a molecular weight of 199.61 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,2-difluoroethoxy)-1,3-thiazole is sourced from PubChem (CID 83152988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).