2-(2,2-difluoroethyl)-1,3-thiazole

C5H5F2NS — CID 54002097

IUPAC2-(2,2-difluoroethyl)-1,3-thiazole
SMILESFC(F)Cc1nccs1
InChIInChI=1S/C5H5F2NS/c6-4(7)3-5-8-1-2-9-5/h1-2,4H,3H2
InChIKeyDYGMXTOWBIWGAK-UHFFFAOYSA-N
MW149.17 g/mol
LogP1.95
Rot. Bonds2

About 2-(2,2-difluoroethyl)-1,3-thiazole

2-(2,2-difluoroethyl)-1,3-thiazole (PubChem CID 54002097) has the molecular formula C5H5F2NS and a molecular weight of 149.17 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-1,3-thiazole
PubChem CID54002097
Molecular FormulaC5H5F2NS
Molecular Weight149.17 g/mol
Exact Mass149.01
IUPAC Name2-(2,2-difluoroethyl)-1,3-thiazole
SMILESFC(F)Cc1nccs1
InChIInChI=1S/C5H5F2NS/c6-4(7)3-5-8-1-2-9-5/h1-2,4H,3H2
InChIKeyDYGMXTOWBIWGAK-UHFFFAOYSA-N
XLogP1.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.17
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Isobutylthiazole
CID 62725
2-Ethylthiazole
CID 85053
2-(1-Methylpropyl)thiazole
CID 519539
2-Methylthiazole
CID 77129
2-Thiazolylethylamine
CID 87653
2-Propylthiazole
CID 87198
2-Butylthiazole
CID 3015925
2-(Sec-Butyl)Thiazole
CID 5289510
2-Pentylthiazole
CID 22150015
2-Ethynyl-1,3-thiazole
CID 11651155
2-(Tert-butyl)thiazole
CID 580980
2-Ethenyl-1,3-thiazole
CID 13678549

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-1,3-thiazole?
The IUPAC name of 2-(2,2-difluoroethyl)-1,3-thiazole (CID 54002097) is 2-(2,2-difluoroethyl)-1,3-thiazole.
What is the SMILES notation for 2-(2,2-difluoroethyl)-1,3-thiazole?
The canonical SMILES for 2-(2,2-difluoroethyl)-1,3-thiazole is FC(F)Cc1nccs1.
What is the InChIKey of 2-(2,2-difluoroethyl)-1,3-thiazole?
The InChIKey is DYGMXTOWBIWGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2NS/c6-4(7)3-5-8-1-2-9-5/h1-2,4H,3H2.
What are the key properties of 2-(2,2-difluoroethyl)-1,3-thiazole?
2-(2,2-difluoroethyl)-1,3-thiazole has a molecular weight of 149.17 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-1,3-thiazole is sourced from PubChem (CID 54002097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).