3-amino-1,1,1-trifluoro-2-(3-methyl-1,2-thiazol-5-yl)propan-2-ol

C7H9F3N2OS — CID 130638070

IUPAC3-amino-1,1,1-trifluoro-2-(3-methyl-1,2-thiazol-5-yl)propan-2-ol
SMILESCc1cc(C(O)(CN)C(F)(F)F)sn1
InChIInChI=1S/C7H9F3N2OS/c1-4-2-5(14-12-4)6(13,3-11)7(8,9)10/h2,13H,3,11H2,1H3
InChIKeyLKEFOYQRQWGXCX-UHFFFAOYSA-N
MW226.22 g/mol
LogP1.16
Rot. Bonds2

About 3-amino-1,1,1-trifluoro-2-(3-methyl-1,2-thiazol-5-yl)propan-2-ol

3-amino-1,1,1-trifluoro-2-(3-methyl-1,2-thiazol-5-yl)propan-2-ol (PubChem CID 130638070) has the molecular formula C7H9F3N2OS and a molecular weight of 226.22 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-(3-methyl-1,2-thiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-(3-methyl-1,2-thiazol-5-yl)propan-2-ol
PubChem CID130638070
Molecular FormulaC7H9F3N2OS
Molecular Weight226.22 g/mol
Exact Mass226.04
IUPAC Name3-amino-1,1,1-trifluoro-2-(3-methyl-1,2-thiazol-5-yl)propan-2-ol
SMILESCc1cc(C(O)(CN)C(F)(F)F)sn1
InChIInChI=1S/C7H9F3N2OS/c1-4-2-5(14-12-4)6(13,3-11)7(8,9)10/h2,13H,3,11H2,1H3
InChIKeyLKEFOYQRQWGXCX-UHFFFAOYSA-N
XLogP1.16
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-1,1,1-trifluoro-2-(3-methyl-1,2-thiazol-5-yl)propan-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

3-Amino-1,1,1-trifluoro-2-(1,2-thiazol-3-yl)propan-2-ol
CID 130637739
(1R)-2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol
CID 130991631
4,4-Difluoro-1-(3-methyl-1,2-thiazol-5-yl)cyclohex-2-en-1-ol
CID 165492038
2-Amino-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
CID 112489533
3-Amino-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
CID 126985727
1-Amino-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
CID 130639475
2-Amino-1-(3-methyl-1,2-thiazol-5-yl)ethanol
CID 130690765
4-Amino-1-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-ol
CID 130730151
3-Amino-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
CID 130832080
1-Amino-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
CID 131048273
3-(3-Methyl-1,2-thiazol-5-yl)piperidin-3-ol
CID 131115500
3-Amino-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
CID 131165720

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-(3-methyl-1,2-thiazol-5-yl)propan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-(3-methyl-1,2-thiazol-5-yl)propan-2-ol (CID 130638070) is 3-amino-1,1,1-trifluoro-2-(3-methyl-1,2-thiazol-5-yl)propan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-(3-methyl-1,2-thiazol-5-yl)propan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-(3-methyl-1,2-thiazol-5-yl)propan-2-ol is Cc1cc(C(O)(CN)C(F)(F)F)sn1.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-(3-methyl-1,2-thiazol-5-yl)propan-2-ol?
The InChIKey is LKEFOYQRQWGXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2OS/c1-4-2-5(14-12-4)6(13,3-11)7(8,9)10/h2,13H,3,11H2,1H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-(3-methyl-1,2-thiazol-5-yl)propan-2-ol?
3-amino-1,1,1-trifluoro-2-(3-methyl-1,2-thiazol-5-yl)propan-2-ol has a molecular weight of 226.22 g/mol, XLogP of 1.16, 2 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-(3-methyl-1,2-thiazol-5-yl)propan-2-ol is sourced from PubChem (CID 130638070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).