5,5,5-trifluoro-2-(methylamino)-1-(1,3-thiazol-2-yl)pentan-1-ol

C9H13F3N2OS — CID 176679504

IUPAC5,5,5-trifluoro-2-(methylamino)-1-(1,3-thiazol-2-yl)pentan-1-ol
SMILESCNC(CCC(F)(F)F)C(O)c1nccs1
InChIInChI=1S/C9H13F3N2OS/c1-13-6(2-3-9(10,11)12)7(15)8-14-4-5-16-8/h4-7,13,15H,2-3H2,1H3
InChIKeyJPLFVAOYTLUQAN-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.11
Rot. Bonds5

About 5,5,5-trifluoro-2-(methylamino)-1-(1,3-thiazol-2-yl)pentan-1-ol

5,5,5-trifluoro-2-(methylamino)-1-(1,3-thiazol-2-yl)pentan-1-ol (PubChem CID 176679504) has the molecular formula C9H13F3N2OS and a molecular weight of 254.28 g/mol. Its IUPAC name is 5,5,5-trifluoro-2-(methylamino)-1-(1,3-thiazol-2-yl)pentan-1-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-2-(methylamino)-1-(1,3-thiazol-2-yl)pentan-1-ol
PubChem CID176679504
Molecular FormulaC9H13F3N2OS
Molecular Weight254.28 g/mol
Exact Mass254.07
IUPAC Name5,5,5-trifluoro-2-(methylamino)-1-(1,3-thiazol-2-yl)pentan-1-ol
SMILESCNC(CCC(F)(F)F)C(O)c1nccs1
InChIInChI=1S/C9H13F3N2OS/c1-13-6(2-3-9(10,11)12)7(15)8-14-4-5-16-8/h4-7,13,15H,2-3H2,1H3
InChIKeyJPLFVAOYTLUQAN-UHFFFAOYSA-N
XLogP2.11
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-2-(methylamino)-1-(1,3-thiazol-2-yl)pentan-1-ol?
The IUPAC name of 5,5,5-trifluoro-2-(methylamino)-1-(1,3-thiazol-2-yl)pentan-1-ol (CID 176679504) is 5,5,5-trifluoro-2-(methylamino)-1-(1,3-thiazol-2-yl)pentan-1-ol.
What is the SMILES notation for 5,5,5-trifluoro-2-(methylamino)-1-(1,3-thiazol-2-yl)pentan-1-ol?
The canonical SMILES for 5,5,5-trifluoro-2-(methylamino)-1-(1,3-thiazol-2-yl)pentan-1-ol is CNC(CCC(F)(F)F)C(O)c1nccs1.
What is the InChIKey of 5,5,5-trifluoro-2-(methylamino)-1-(1,3-thiazol-2-yl)pentan-1-ol?
The InChIKey is JPLFVAOYTLUQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OS/c1-13-6(2-3-9(10,11)12)7(15)8-14-4-5-16-8/h4-7,13,15H,2-3H2,1H3.
What are the key properties of 5,5,5-trifluoro-2-(methylamino)-1-(1,3-thiazol-2-yl)pentan-1-ol?
5,5,5-trifluoro-2-(methylamino)-1-(1,3-thiazol-2-yl)pentan-1-ol has a molecular weight of 254.28 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-2-(methylamino)-1-(1,3-thiazol-2-yl)pentan-1-ol is sourced from PubChem (CID 176679504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).