5-(2,2-difluoroethyl)-3-methyl-1,2-thiazole

C6H7F2NS — CID 54534912

IUPAC5-(2,2-difluoroethyl)-3-methyl-1,2-thiazole
SMILESCc1cc(CC(F)F)sn1
InChIInChI=1S/C6H7F2NS/c1-4-2-5(10-9-4)3-6(7)8/h2,6H,3H2,1H3
InChIKeyCFYPAZBVUCAWPL-UHFFFAOYSA-N
MW163.19 g/mol
LogP2.26
Rot. Bonds2

About 5-(2,2-difluoroethyl)-3-methyl-1,2-thiazole

5-(2,2-difluoroethyl)-3-methyl-1,2-thiazole (PubChem CID 54534912) has the molecular formula C6H7F2NS and a molecular weight of 163.19 g/mol. Its IUPAC name is 5-(2,2-difluoroethyl)-3-methyl-1,2-thiazole.

Molecular Properties

Compound Name5-(2,2-difluoroethyl)-3-methyl-1,2-thiazole
PubChem CID54534912
Molecular FormulaC6H7F2NS
Molecular Weight163.19 g/mol
Exact Mass163.03
IUPAC Name5-(2,2-difluoroethyl)-3-methyl-1,2-thiazole
SMILESCc1cc(CC(F)F)sn1
InChIInChI=1S/C6H7F2NS/c1-4-2-5(10-9-4)3-6(7)8/h2,6H,3H2,1H3
InChIKeyCFYPAZBVUCAWPL-UHFFFAOYSA-N
XLogP2.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethyl)-3-methyl-1,2-thiazole?
The IUPAC name of 5-(2,2-difluoroethyl)-3-methyl-1,2-thiazole (CID 54534912) is 5-(2,2-difluoroethyl)-3-methyl-1,2-thiazole.
What is the SMILES notation for 5-(2,2-difluoroethyl)-3-methyl-1,2-thiazole?
The canonical SMILES for 5-(2,2-difluoroethyl)-3-methyl-1,2-thiazole is Cc1cc(CC(F)F)sn1.
What is the InChIKey of 5-(2,2-difluoroethyl)-3-methyl-1,2-thiazole?
The InChIKey is CFYPAZBVUCAWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NS/c1-4-2-5(10-9-4)3-6(7)8/h2,6H,3H2,1H3.
What are the key properties of 5-(2,2-difluoroethyl)-3-methyl-1,2-thiazole?
5-(2,2-difluoroethyl)-3-methyl-1,2-thiazole has a molecular weight of 163.19 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethyl)-3-methyl-1,2-thiazole is sourced from PubChem (CID 54534912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).