2-[2-tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol

C11H16F3NOS — CID 171574204

IUPAC2-[2-tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol
SMILESCC(C)(C)c1nc(C(C)(C)O)c(C(F)(F)F)s1
InChIInChI=1S/C11H16F3NOS/c1-9(2,3)8-15-6(10(4,5)16)7(17-8)11(12,13)14/h16H,1-5H3
InChIKeyWOTUAWARUBTUST-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.69
Rot. Bonds1

About 2-[2-tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol

2-[2-tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol (PubChem CID 171574204) has the molecular formula C11H16F3NOS and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[2-tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol
PubChem CID171574204
Molecular FormulaC11H16F3NOS
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC Name2-[2-tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol
SMILESCC(C)(C)c1nc(C(C)(C)O)c(C(F)(F)F)s1
InChIInChI=1S/C11H16F3NOS/c1-9(2,3)8-15-6(10(4,5)16)7(17-8)11(12,13)14/h16H,1-5H3
InChIKeyWOTUAWARUBTUST-UHFFFAOYSA-N
XLogP3.69
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol (CID 171574204) is 2-[2-tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol is CC(C)(C)c1nc(C(C)(C)O)c(C(F)(F)F)s1.
What is the InChIKey of 2-[2-tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol?
The InChIKey is WOTUAWARUBTUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NOS/c1-9(2,3)8-15-6(10(4,5)16)7(17-8)11(12,13)14/h16H,1-5H3.
What are the key properties of 2-[2-tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol?
2-[2-tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol has a molecular weight of 267.32 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol is sourced from PubChem (CID 171574204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).