2-(2-amino-1,3-thiazol-5-yl)-6,6,6-trifluorohexan-2-ol

C9H13F3N2OS — CID 116535982

IUPAC2-(2-amino-1,3-thiazol-5-yl)-6,6,6-trifluorohexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)c1cnc(N)s1
InChIInChI=1S/C9H13F3N2OS/c1-8(15,3-2-4-9(10,11)12)6-5-14-7(13)16-6/h5,15H,2-4H2,1H3,(H2,13,14)
InChIKeyXVEIQGQQSFJMSG-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.67
Rot. Bonds4

About 2-(2-amino-1,3-thiazol-5-yl)-6,6,6-trifluorohexan-2-ol

2-(2-amino-1,3-thiazol-5-yl)-6,6,6-trifluorohexan-2-ol (PubChem CID 116535982) has the molecular formula C9H13F3N2OS and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-5-yl)-6,6,6-trifluorohexan-2-ol.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-5-yl)-6,6,6-trifluorohexan-2-ol
PubChem CID116535982
Molecular FormulaC9H13F3N2OS
Molecular Weight254.28 g/mol
Exact Mass254.07
IUPAC Name2-(2-amino-1,3-thiazol-5-yl)-6,6,6-trifluorohexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)c1cnc(N)s1
InChIInChI=1S/C9H13F3N2OS/c1-8(15,3-2-4-9(10,11)12)6-5-14-7(13)16-6/h5,15H,2-4H2,1H3,(H2,13,14)
InChIKeyXVEIQGQQSFJMSG-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Amino-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 2318066
1-(2-Amino-1,3-thiazol-5-yl)cyclobutan-1-ol
CID 22731376
2-(2-Aminothiazol-5-yl)propan-2-ol
CID 45121757
1-(2-Amino-1,3-thiazol-5-yl)cyclohexan-1-ol
CID 75481407
4-(2-Amino-1,3-thiazol-5-yl)piperidin-4-ol
CID 104053454
2-[2-(Butylamino)-1,3-thiazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 86591941
1,1,1,3,3,3-Hexafluoro-2-[2-(methylamino)-1,3-thiazol-5-yl]propan-2-ol
CID 142157351
3-Amino-2-(2-amino-1,3-thiazol-5-yl)-1,1,1-trifluoropropan-2-ol
CID 47003444
3-Amino-2-[2-(dimethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 47003445
(2R)-3-amino-2-(2-amino-1,3-thiazol-5-yl)-1,1,1-trifluoropropan-2-ol
CID 51922098
(2S)-3-amino-2-(2-amino-1,3-thiazol-5-yl)-1,1,1-trifluoropropan-2-ol
CID 51922100
(2R)-3-amino-2-[2-(dimethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 51922102

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-5-yl)-6,6,6-trifluorohexan-2-ol?
The IUPAC name of 2-(2-amino-1,3-thiazol-5-yl)-6,6,6-trifluorohexan-2-ol (CID 116535982) is 2-(2-amino-1,3-thiazol-5-yl)-6,6,6-trifluorohexan-2-ol.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-5-yl)-6,6,6-trifluorohexan-2-ol?
The canonical SMILES for 2-(2-amino-1,3-thiazol-5-yl)-6,6,6-trifluorohexan-2-ol is CC(O)(CCCC(F)(F)F)c1cnc(N)s1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-5-yl)-6,6,6-trifluorohexan-2-ol?
The InChIKey is XVEIQGQQSFJMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OS/c1-8(15,3-2-4-9(10,11)12)6-5-14-7(13)16-6/h5,15H,2-4H2,1H3,(H2,13,14).
What are the key properties of 2-(2-amino-1,3-thiazol-5-yl)-6,6,6-trifluorohexan-2-ol?
2-(2-amino-1,3-thiazol-5-yl)-6,6,6-trifluorohexan-2-ol has a molecular weight of 254.28 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-5-yl)-6,6,6-trifluorohexan-2-ol is sourced from PubChem (CID 116535982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).