5-(2,2,2-trifluoro-1-methoxyethyl)-1,3-thiazole

C6H6F3NOS — CID 58450293

IUPAC5-(2,2,2-trifluoro-1-methoxyethyl)-1,3-thiazole
SMILESCOC(c1cncs1)C(F)(F)F
InChIInChI=1S/C6H6F3NOS/c1-11-5(6(7,8)9)4-2-10-3-12-4/h2-3,5H,1H3
InChIKeyKWPBTNVGEVDHGQ-UHFFFAOYSA-N
MW197.18 g/mol
LogP2.39
Rot. Bonds2

About 5-(2,2,2-trifluoro-1-methoxyethyl)-1,3-thiazole

5-(2,2,2-trifluoro-1-methoxyethyl)-1,3-thiazole (PubChem CID 58450293) has the molecular formula C6H6F3NOS and a molecular weight of 197.18 g/mol. Its IUPAC name is 5-(2,2,2-trifluoro-1-methoxyethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(2,2,2-trifluoro-1-methoxyethyl)-1,3-thiazole
PubChem CID58450293
Molecular FormulaC6H6F3NOS
Molecular Weight197.18 g/mol
Exact Mass197.01
IUPAC Name5-(2,2,2-trifluoro-1-methoxyethyl)-1,3-thiazole
SMILESCOC(c1cncs1)C(F)(F)F
InChIInChI=1S/C6H6F3NOS/c1-11-5(6(7,8)9)4-2-10-3-12-4/h2-3,5H,1H3
InChIKeyKWPBTNVGEVDHGQ-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoro-1-methoxyethyl)-1,3-thiazole?
The IUPAC name of 5-(2,2,2-trifluoro-1-methoxyethyl)-1,3-thiazole (CID 58450293) is 5-(2,2,2-trifluoro-1-methoxyethyl)-1,3-thiazole.
What is the SMILES notation for 5-(2,2,2-trifluoro-1-methoxyethyl)-1,3-thiazole?
The canonical SMILES for 5-(2,2,2-trifluoro-1-methoxyethyl)-1,3-thiazole is COC(c1cncs1)C(F)(F)F.
What is the InChIKey of 5-(2,2,2-trifluoro-1-methoxyethyl)-1,3-thiazole?
The InChIKey is KWPBTNVGEVDHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NOS/c1-11-5(6(7,8)9)4-2-10-3-12-4/h2-3,5H,1H3.
What are the key properties of 5-(2,2,2-trifluoro-1-methoxyethyl)-1,3-thiazole?
5-(2,2,2-trifluoro-1-methoxyethyl)-1,3-thiazole has a molecular weight of 197.18 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoro-1-methoxyethyl)-1,3-thiazole is sourced from PubChem (CID 58450293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).