5-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)-1,2-thiazole

C14H14F3NOS — CID 67806563

IUPAC5-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)-1,2-thiazole
SMILESCOc1cc(C(C)C)ccc1-c1cc(C(F)(F)F)ns1
InChIInChI=1S/C14H14F3NOS/c1-8(2)9-4-5-10(11(6-9)19-3)12-7-13(18-20-12)14(15,16)17/h4-8H,1-3H3
InChIKeyOVPYJEYLVQTTHA-UHFFFAOYSA-N
MW301.33 g/mol
LogP4.96
Rot. Bonds3

About 5-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)-1,2-thiazole

5-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)-1,2-thiazole (PubChem CID 67806563) has the molecular formula C14H14F3NOS and a molecular weight of 301.33 g/mol. Its IUPAC name is 5-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)-1,2-thiazole.

Molecular Properties

Compound Name5-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)-1,2-thiazole
PubChem CID67806563
Molecular FormulaC14H14F3NOS
Molecular Weight301.33 g/mol
Exact Mass301.07
IUPAC Name5-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)-1,2-thiazole
SMILESCOc1cc(C(C)C)ccc1-c1cc(C(F)(F)F)ns1
InChIInChI=1S/C14H14F3NOS/c1-8(2)9-4-5-10(11(6-9)19-3)12-7-13(18-20-12)14(15,16)17/h4-8H,1-3H3
InChIKeyOVPYJEYLVQTTHA-UHFFFAOYSA-N
XLogP4.96
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)-1,2-thiazole?
The IUPAC name of 5-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)-1,2-thiazole (CID 67806563) is 5-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)-1,2-thiazole.
What is the SMILES notation for 5-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)-1,2-thiazole?
The canonical SMILES for 5-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)-1,2-thiazole is COc1cc(C(C)C)ccc1-c1cc(C(F)(F)F)ns1.
What is the InChIKey of 5-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)-1,2-thiazole?
The InChIKey is OVPYJEYLVQTTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NOS/c1-8(2)9-4-5-10(11(6-9)19-3)12-7-13(18-20-12)14(15,16)17/h4-8H,1-3H3.
What are the key properties of 5-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)-1,2-thiazole?
5-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)-1,2-thiazole has a molecular weight of 301.33 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)-1,2-thiazole is sourced from PubChem (CID 67806563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).