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

C11H16F3NOS — CID 102501942

IUPAC3-[2-tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-1-ol
SMILESCC(C)(C)c1nc(CCCO)c(C(F)(F)F)s1
InChIInChI=1S/C11H16F3NOS/c1-10(2,3)9-15-7(5-4-6-16)8(17-9)11(12,13)14/h16H,4-6H2,1-3H3
InChIKeyFHJNJHLXPDCJSX-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.38
Rot. Bonds3

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

3-[2-tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-1-ol (PubChem CID 102501942) has the molecular formula C11H16F3NOS and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-[2-tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-1-ol
PubChem CID102501942
Molecular FormulaC11H16F3NOS
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC Name3-[2-tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-1-ol
SMILESCC(C)(C)c1nc(CCCO)c(C(F)(F)F)s1
InChIInChI=1S/C11H16F3NOS/c1-10(2,3)9-15-7(5-4-6-16)8(17-9)11(12,13)14/h16H,4-6H2,1-3H3
InChIKeyFHJNJHLXPDCJSX-UHFFFAOYSA-N
XLogP3.38
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-1-ol?
The IUPAC name of 3-[2-tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-1-ol (CID 102501942) is 3-[2-tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[2-tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[2-tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-1-ol is CC(C)(C)c1nc(CCCO)c(C(F)(F)F)s1.
What is the InChIKey of 3-[2-tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-1-ol?
The InChIKey is FHJNJHLXPDCJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NOS/c1-10(2,3)9-15-7(5-4-6-16)8(17-9)11(12,13)14/h16H,4-6H2,1-3H3.
What are the key properties of 3-[2-tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-1-ol?
3-[2-tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-1-ol has a molecular weight of 267.32 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-tert-butyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-1-ol is sourced from PubChem (CID 102501942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).