5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole

C7H8F3NOS — CID 20716501

IUPAC5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole
SMILESCc1cnc(OC(C)C(F)(F)F)s1
InChIInChI=1S/C7H8F3NOS/c1-4-3-11-6(13-4)12-5(2)7(8,9)10/h3,5H,1-2H3
InChIKeyJYOLNGKPZCJBKK-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.78
Rot. Bonds2

About 5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole

5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole (PubChem CID 20716501) has the molecular formula C7H8F3NOS and a molecular weight of 211.21 g/mol. Its IUPAC name is 5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole
PubChem CID20716501
Molecular FormulaC7H8F3NOS
Molecular Weight211.21 g/mol
Exact Mass211.03
IUPAC Name5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole
SMILESCc1cnc(OC(C)C(F)(F)F)s1
InChIInChI=1S/C7H8F3NOS/c1-4-3-11-6(13-4)12-5(2)7(8,9)10/h3,5H,1-2H3
InChIKeyJYOLNGKPZCJBKK-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole?
The IUPAC name of 5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole (CID 20716501) is 5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole?
The canonical SMILES for 5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole is Cc1cnc(OC(C)C(F)(F)F)s1.
What is the InChIKey of 5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole?
The InChIKey is JYOLNGKPZCJBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NOS/c1-4-3-11-6(13-4)12-5(2)7(8,9)10/h3,5H,1-2H3.
What are the key properties of 5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole?
5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole has a molecular weight of 211.21 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole is sourced from PubChem (CID 20716501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).