2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-1,3-thiazole

C8H10F3NOS — CID 59637084

IUPAC2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)(C)Oc1nc(C(F)(F)F)cs1
InChIInChI=1S/C8H10F3NOS/c1-7(2,3)13-6-12-5(4-14-6)8(9,10)11/h4H,1-3H3
InChIKeyAHLAXQMSZKDVMX-UHFFFAOYSA-N
MW225.23 g/mol
LogP3.34
Rot. Bonds1

About 2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-1,3-thiazole

2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 59637084) has the molecular formula C8H10F3NOS and a molecular weight of 225.23 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID59637084
Molecular FormulaC8H10F3NOS
Molecular Weight225.23 g/mol
Exact Mass225.04
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)(C)Oc1nc(C(F)(F)F)cs1
InChIInChI=1S/C8H10F3NOS/c1-7(2,3)13-6-12-5(4-14-6)8(9,10)11/h4H,1-3H3
InChIKeyAHLAXQMSZKDVMX-UHFFFAOYSA-N
XLogP3.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-1,3-thiazole (CID 59637084) is 2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-1,3-thiazole is CC(C)(C)Oc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is AHLAXQMSZKDVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NOS/c1-7(2,3)13-6-12-5(4-14-6)8(9,10)11/h4H,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-1,3-thiazole?
2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 225.23 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 59637084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).