ethane;5-(methoxymethyl)-2-(trifluoromethyl)-1,3-thiazole

C8H12F3NOS — CID 171093196

IUPACethane;5-(methoxymethyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCC.COCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C6H6F3NOS.C2H6/c1-11-3-4-2-10-5(12-4)6(7,8)9;1-2/h2H,3H2,1H3;1-2H3
InChIKeyHRNHAQBTIVRYKH-UHFFFAOYSA-N
MW227.25 g/mol
LogP3.33
Rot. Bonds2

About ethane;5-(methoxymethyl)-2-(trifluoromethyl)-1,3-thiazole

ethane;5-(methoxymethyl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 171093196) has the molecular formula C8H12F3NOS and a molecular weight of 227.25 g/mol. Its IUPAC name is ethane;5-(methoxymethyl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Nameethane;5-(methoxymethyl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID171093196
Molecular FormulaC8H12F3NOS
Molecular Weight227.25 g/mol
Exact Mass227.06
IUPAC Nameethane;5-(methoxymethyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCC.COCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C6H6F3NOS.C2H6/c1-11-3-4-2-10-5(12-4)6(7,8)9;1-2/h2H,3H2,1H3;1-2H3
InChIKeyHRNHAQBTIVRYKH-UHFFFAOYSA-N
XLogP3.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-(methoxymethyl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of ethane;5-(methoxymethyl)-2-(trifluoromethyl)-1,3-thiazole (CID 171093196) is ethane;5-(methoxymethyl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for ethane;5-(methoxymethyl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for ethane;5-(methoxymethyl)-2-(trifluoromethyl)-1,3-thiazole is CC.COCc1cnc(C(F)(F)F)s1.
What is the InChIKey of ethane;5-(methoxymethyl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is HRNHAQBTIVRYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NOS.C2H6/c1-11-3-4-2-10-5(12-4)6(7,8)9;1-2/h2H,3H2,1H3;1-2H3.
What are the key properties of ethane;5-(methoxymethyl)-2-(trifluoromethyl)-1,3-thiazole?
ethane;5-(methoxymethyl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 227.25 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(methoxymethyl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 171093196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).