(2R)-3-amino-2-[2-(dimethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol

C8H12F3N3OS — CID 51922102

IUPAC(2R)-3-amino-2-[2-(dimethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol
SMILESCN(C)c1ncc([C@@](O)(CN)C(F)(F)F)s1
InChIInChI=1S/C8H12F3N3OS/c1-14(2)6-13-3-5(16-6)7(15,4-12)8(9,10)11/h3,15H,4,12H2,1-2H3/t7-/m0/s1
InChIKeyYKIWQWNRIQJGQS-ZETCQYMHSA-N
MW255.26 g/mol
LogP0.92
Rot. Bonds3

About (2R)-3-amino-2-[2-(dimethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol

(2R)-3-amino-2-[2-(dimethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 51922102) has the molecular formula C8H12F3N3OS and a molecular weight of 255.26 g/mol. Its IUPAC name is (2R)-3-amino-2-[2-(dimethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2R)-3-amino-2-[2-(dimethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID51922102
Molecular FormulaC8H12F3N3OS
Molecular Weight255.26 g/mol
Exact Mass255.07
IUPAC Name(2R)-3-amino-2-[2-(dimethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol
SMILESCN(C)c1ncc([C@@](O)(CN)C(F)(F)F)s1
InChIInChI=1S/C8H12F3N3OS/c1-14(2)6-13-3-5(16-6)7(15,4-12)8(9,10)11/h3,15H,4,12H2,1-2H3/t7-/m0/s1
InChIKeyYKIWQWNRIQJGQS-ZETCQYMHSA-N
XLogP0.92
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-3-amino-2-[2-(dimethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Amino-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 2318066
N-ethyl-N-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)isobutyramide
CID 44413431
N-butyl-N-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)acetamide
CID 44413485
2-(2-Aminothiazol-5-yl)propan-2-ol
CID 45121757
3-(2-Amino-1,3-thiazol-5-yl)azetidin-3-ol; bis(trifluoroacetic acid)
CID 155978196
N-butyl-N'-ethyl-N-{5-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-1,3-thiazol-2-yl}urea
CID 10135168
N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 57644091
N-ethyl-2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide
CID 59149474
1-Butyl-3-ethyl-1-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]urea
CID 59149481
2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide
CID 59149483
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

Frequently Asked Questions

What is the IUPAC name of (2R)-3-amino-2-[2-(dimethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2R)-3-amino-2-[2-(dimethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol (CID 51922102) is (2R)-3-amino-2-[2-(dimethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2R)-3-amino-2-[2-(dimethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2R)-3-amino-2-[2-(dimethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol is CN(C)c1ncc([C@@](O)(CN)C(F)(F)F)s1.
What is the InChIKey of (2R)-3-amino-2-[2-(dimethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is YKIWQWNRIQJGQS-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12F3N3OS/c1-14(2)6-13-3-5(16-6)7(15,4-12)8(9,10)11/h3,15H,4,12H2,1-2H3/t7-/m0/s1.
What are the key properties of (2R)-3-amino-2-[2-(dimethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol?
(2R)-3-amino-2-[2-(dimethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 255.26 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-amino-2-[2-(dimethylamino)-1,3-thiazol-5-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 51922102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).