ethane;2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole

C8H12F3NS — CID 143474860

IUPACethane;2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESCC.Cc1nc(CC(F)(F)F)cs1
InChIInChI=1S/C6H6F3NS.C2H6/c1-4-10-5(3-11-4)2-6(7,8)9;1-2/h3H,2H2,1H3;1-2H3
InChIKeyGEFKKEDPWPBUAN-UHFFFAOYSA-N
MW211.25 g/mol
LogP3.58
Rot. Bonds1

About ethane;2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole

ethane;2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole (PubChem CID 143474860) has the molecular formula C8H12F3NS and a molecular weight of 211.25 g/mol. Its IUPAC name is ethane;2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole.

Molecular Properties

Compound Nameethane;2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole
PubChem CID143474860
Molecular FormulaC8H12F3NS
Molecular Weight211.25 g/mol
Exact Mass211.06
IUPAC Nameethane;2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESCC.Cc1nc(CC(F)(F)F)cs1
InChIInChI=1S/C6H6F3NS.C2H6/c1-4-10-5(3-11-4)2-6(7,8)9;1-2/h3H,2H2,1H3;1-2H3
InChIKeyGEFKKEDPWPBUAN-UHFFFAOYSA-N
XLogP3.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole?
The IUPAC name of ethane;2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole (CID 143474860) is ethane;2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole.
What is the SMILES notation for ethane;2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole?
The canonical SMILES for ethane;2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole is CC.Cc1nc(CC(F)(F)F)cs1.
What is the InChIKey of ethane;2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole?
The InChIKey is GEFKKEDPWPBUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NS.C2H6/c1-4-10-5(3-11-4)2-6(7,8)9;1-2/h3H,2H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole?
ethane;2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole has a molecular weight of 211.25 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole is sourced from PubChem (CID 143474860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).