3-(2-amino-1,3-thiazol-5-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid)

C10H11F6N3O5S — CID 155978196

IUPAC3-(2-amino-1,3-thiazol-5-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid)
SMILESNc1ncc(C2(O)CNC2)s1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H9N3OS.2C2HF3O2/c7-5-9-1-4(11-5)6(10)2-8-3-6;2*3-2(4,5)1(6)7/h1,8,10H,2-3H2,(H2,7,9);2*(H,6,7)
InChIKeyMIOUHUUTKYCLSK-UHFFFAOYSA-N
MW399.27 g/mol
LogP0.78
Rot. Bonds1

About 3-(2-amino-1,3-thiazol-5-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid)

3-(2-amino-1,3-thiazol-5-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155978196) has the molecular formula C10H11F6N3O5S and a molecular weight of 399.27 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-5-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-5-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid)
PubChem CID155978196
Molecular FormulaC10H11F6N3O5S
Molecular Weight399.27 g/mol
Exact Mass399.03
IUPAC Name3-(2-amino-1,3-thiazol-5-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid)
SMILESNc1ncc(C2(O)CNC2)s1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H9N3OS.2C2HF3O2/c7-5-9-1-4(11-5)6(10)2-8-3-6;2*3-2(4,5)1(6)7/h1,8,10H,2-3H2,(H2,7,9);2*(H,6,7)
InChIKeyMIOUHUUTKYCLSK-UHFFFAOYSA-N
XLogP0.78
TPSA145.77 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 50.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 3-(2-amino-1,3-thiazol-5-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid) with MolForge

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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
Tert-butyl 3-(2-amino-1,3-thiazol-5-yl)-3-hydroxyazetidine-1-carboxylate
CID 104053769
2-[2-(Butylamino)-1,3-thiazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 86591941
N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]formamide
CID 87544007
[5-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]urea
CID 140535762
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
(2S)-3-amino-2-[2-(dimethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 51922104

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-5-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 3-(2-amino-1,3-thiazol-5-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid) (CID 155978196) is 3-(2-amino-1,3-thiazol-5-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 3-(2-amino-1,3-thiazol-5-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 3-(2-amino-1,3-thiazol-5-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid) is Nc1ncc(C2(O)CNC2)s1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(2-amino-1,3-thiazol-5-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is MIOUHUUTKYCLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS.2C2HF3O2/c7-5-9-1-4(11-5)6(10)2-8-3-6;2*3-2(4,5)1(6)7/h1,8,10H,2-3H2,(H2,7,9);2*(H,6,7).
What are the key properties of 3-(2-amino-1,3-thiazol-5-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid)?
3-(2-amino-1,3-thiazol-5-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 399.27 g/mol, XLogP of 0.78, 1 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-5-yl)azetidin-3-ol;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155978196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).