3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)pentan-2-ol

C9H13F3N2OS — CID 79824631

IUPAC3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)pentan-2-ol
SMILESCCC(N)C(O)(Cc1nccs1)C(F)(F)F
InChIInChI=1S/C9H13F3N2OS/c1-2-6(13)8(15,9(10,11)12)5-7-14-3-4-16-7/h3-4,6,15H,2,5,13H2,1H3
InChIKeyHDKIXKVKTSAOEN-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.72
Rot. Bonds4

About 3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)pentan-2-ol

3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)pentan-2-ol (PubChem CID 79824631) has the molecular formula C9H13F3N2OS and a molecular weight of 254.28 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)pentan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)pentan-2-ol
PubChem CID79824631
Molecular FormulaC9H13F3N2OS
Molecular Weight254.28 g/mol
Exact Mass254.07
IUPAC Name3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)pentan-2-ol
SMILESCCC(N)C(O)(Cc1nccs1)C(F)(F)F
InChIInChI=1S/C9H13F3N2OS/c1-2-6(13)8(15,9(10,11)12)5-7-14-3-4-16-7/h3-4,6,15H,2,5,13H2,1H3
InChIKeyHDKIXKVKTSAOEN-UHFFFAOYSA-N
XLogP1.72
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)pentan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)pentan-2-ol (CID 79824631) is 3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)pentan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)pentan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)pentan-2-ol is CCC(N)C(O)(Cc1nccs1)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)pentan-2-ol?
The InChIKey is HDKIXKVKTSAOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OS/c1-2-6(13)8(15,9(10,11)12)5-7-14-3-4-16-7/h3-4,6,15H,2,5,13H2,1H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)pentan-2-ol?
3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)pentan-2-ol has a molecular weight of 254.28 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-(1,3-thiazol-2-ylmethyl)pentan-2-ol is sourced from PubChem (CID 79824631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).