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

C6H6F3NOS — CID 144769964

IUPAC5-(methoxymethyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCOCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C6H6F3NOS/c1-11-3-4-2-10-5(12-4)6(7,8)9/h2H,3H2,1H3
InChIKeyGKXXJOUVIGAOLW-UHFFFAOYSA-N
MW197.18 g/mol
LogP2.31
Rot. Bonds2

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

5-(methoxymethyl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 144769964) has the molecular formula C6H6F3NOS and a molecular weight of 197.18 g/mol. Its IUPAC name is 5-(methoxymethyl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(methoxymethyl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID144769964
Molecular FormulaC6H6F3NOS
Molecular Weight197.18 g/mol
Exact Mass197.01
IUPAC Name5-(methoxymethyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCOCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C6H6F3NOS/c1-11-3-4-2-10-5(12-4)6(7,8)9/h2H,3H2,1H3
InChIKeyGKXXJOUVIGAOLW-UHFFFAOYSA-N
XLogP2.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(methoxymethyl)-2-(trifluoromethyl)-1,3-thiazole (CID 144769964) is 5-(methoxymethyl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(methoxymethyl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(methoxymethyl)-2-(trifluoromethyl)-1,3-thiazole is COCc1cnc(C(F)(F)F)s1.
What is the InChIKey of 5-(methoxymethyl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is GKXXJOUVIGAOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NOS/c1-11-3-4-2-10-5(12-4)6(7,8)9/h2H,3H2,1H3.
What are the key properties of 5-(methoxymethyl)-2-(trifluoromethyl)-1,3-thiazole?
5-(methoxymethyl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 197.18 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 144769964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).