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

C6H7F2NS — CID 173304329

IUPAC5-(1,1-difluoroethyl)-3-methyl-1,2-thiazole
SMILESCc1cc(C(C)(F)F)sn1
InChIInChI=1S/C6H7F2NS/c1-4-3-5(10-9-4)6(2,7)8/h3H,1-2H3
InChIKeyQIMRAEQDDNETGU-UHFFFAOYSA-N
MW163.19 g/mol
LogP2.56
Rot. Bonds1

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

5-(1,1-difluoroethyl)-3-methyl-1,2-thiazole (PubChem CID 173304329) has the molecular formula C6H7F2NS and a molecular weight of 163.19 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-3-methyl-1,2-thiazole.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-3-methyl-1,2-thiazole
PubChem CID173304329
Molecular FormulaC6H7F2NS
Molecular Weight163.19 g/mol
Exact Mass163.03
IUPAC Name5-(1,1-difluoroethyl)-3-methyl-1,2-thiazole
SMILESCc1cc(C(C)(F)F)sn1
InChIInChI=1S/C6H7F2NS/c1-4-3-5(10-9-4)6(2,7)8/h3H,1-2H3
InChIKeyQIMRAEQDDNETGU-UHFFFAOYSA-N
XLogP2.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-3-methyl-1,2-thiazole?
The IUPAC name of 5-(1,1-difluoroethyl)-3-methyl-1,2-thiazole (CID 173304329) is 5-(1,1-difluoroethyl)-3-methyl-1,2-thiazole.
What is the SMILES notation for 5-(1,1-difluoroethyl)-3-methyl-1,2-thiazole?
The canonical SMILES for 5-(1,1-difluoroethyl)-3-methyl-1,2-thiazole is Cc1cc(C(C)(F)F)sn1.
What is the InChIKey of 5-(1,1-difluoroethyl)-3-methyl-1,2-thiazole?
The InChIKey is QIMRAEQDDNETGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NS/c1-4-3-5(10-9-4)6(2,7)8/h3H,1-2H3.
What are the key properties of 5-(1,1-difluoroethyl)-3-methyl-1,2-thiazole?
5-(1,1-difluoroethyl)-3-methyl-1,2-thiazole has a molecular weight of 163.19 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-3-methyl-1,2-thiazole is sourced from PubChem (CID 173304329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).