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

C12H17F3N2OS — CID 138003377

IUPAC2-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]propan-1-ol
SMILESCC(CO)C1CCN(c2ncc(C(F)(F)F)s2)CC1
InChIInChI=1S/C12H17F3N2OS/c1-8(7-18)9-2-4-17(5-3-9)11-16-6-10(19-11)12(13,14)15/h6,8-9,18H,2-5,7H2,1H3
InChIKeyCIHBRBRBAALECQ-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.01
Rot. Bonds3

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

2-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]propan-1-ol (PubChem CID 138003377) has the molecular formula C12H17F3N2OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]propan-1-ol.

Molecular Properties

Compound Name2-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]propan-1-ol
PubChem CID138003377
Molecular FormulaC12H17F3N2OS
Molecular Weight294.34 g/mol
Exact Mass294.10
IUPAC Name2-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]propan-1-ol
SMILESCC(CO)C1CCN(c2ncc(C(F)(F)F)s2)CC1
InChIInChI=1S/C12H17F3N2OS/c1-8(7-18)9-2-4-17(5-3-9)11-16-6-10(19-11)12(13,14)15/h6,8-9,18H,2-5,7H2,1H3
InChIKeyCIHBRBRBAALECQ-UHFFFAOYSA-N
XLogP3.01
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]propan-1-ol?
The IUPAC name of 2-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]propan-1-ol (CID 138003377) is 2-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]propan-1-ol.
What is the SMILES notation for 2-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]propan-1-ol?
The canonical SMILES for 2-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]propan-1-ol is CC(CO)C1CCN(c2ncc(C(F)(F)F)s2)CC1.
What is the InChIKey of 2-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]propan-1-ol?
The InChIKey is CIHBRBRBAALECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2OS/c1-8(7-18)9-2-4-17(5-3-9)11-16-6-10(19-11)12(13,14)15/h6,8-9,18H,2-5,7H2,1H3.
What are the key properties of 2-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]propan-1-ol?
2-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]propan-1-ol has a molecular weight of 294.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]propan-1-ol is sourced from PubChem (CID 138003377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).