2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-1,3-thiazole

C7H8F3NOS — CID 58450297

IUPAC2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-1,3-thiazole
SMILESCO[C@H](c1cnc(C)s1)C(F)(F)F
InChIInChI=1S/C7H8F3NOS/c1-4-11-3-5(13-4)6(12-2)7(8,9)10/h3,6H,1-2H3/t6-/m1/s1
InChIKeyZRGRJWMGQQXQIC-ZCFIWIBFSA-N
MW211.21 g/mol
LogP2.70
Rot. Bonds2

About 2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-1,3-thiazole

2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-1,3-thiazole (PubChem CID 58450297) has the molecular formula C7H8F3NOS and a molecular weight of 211.21 g/mol. Its IUPAC name is 2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-1,3-thiazole
PubChem CID58450297
Molecular FormulaC7H8F3NOS
Molecular Weight211.21 g/mol
Exact Mass211.03
IUPAC Name2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-1,3-thiazole
SMILESCO[C@H](c1cnc(C)s1)C(F)(F)F
InChIInChI=1S/C7H8F3NOS/c1-4-11-3-5(13-4)6(12-2)7(8,9)10/h3,6H,1-2H3/t6-/m1/s1
InChIKeyZRGRJWMGQQXQIC-ZCFIWIBFSA-N
XLogP2.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-1,3-thiazole?
The IUPAC name of 2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-1,3-thiazole (CID 58450297) is 2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-1,3-thiazole is CO[C@H](c1cnc(C)s1)C(F)(F)F.
What is the InChIKey of 2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-1,3-thiazole?
The InChIKey is ZRGRJWMGQQXQIC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H8F3NOS/c1-4-11-3-5(13-4)6(12-2)7(8,9)10/h3,6H,1-2H3/t6-/m1/s1.
What are the key properties of 2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-1,3-thiazole?
2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-1,3-thiazole has a molecular weight of 211.21 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-1,3-thiazole is sourced from PubChem (CID 58450297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).