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

C6H7F3N2OS — CID 130637739

IUPAC3-amino-1,1,1-trifluoro-2-(1,2-thiazol-3-yl)propan-2-ol
SMILESNCC(O)(c1ccsn1)C(F)(F)F
InChIInChI=1S/C6H7F3N2OS/c7-6(8,9)5(12,3-10)4-1-2-13-11-4/h1-2,12H,3,10H2
InChIKeyYUJLHJBBNFNMHU-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.85
Rot. Bonds2

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

3-amino-1,1,1-trifluoro-2-(1,2-thiazol-3-yl)propan-2-ol (PubChem CID 130637739) has the molecular formula C6H7F3N2OS and a molecular weight of 212.20 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-(1,2-thiazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-(1,2-thiazol-3-yl)propan-2-ol
PubChem CID130637739
Molecular FormulaC6H7F3N2OS
Molecular Weight212.20 g/mol
Exact Mass212.02
IUPAC Name3-amino-1,1,1-trifluoro-2-(1,2-thiazol-3-yl)propan-2-ol
SMILESNCC(O)(c1ccsn1)C(F)(F)F
InChIInChI=1S/C6H7F3N2OS/c7-6(8,9)5(12,3-10)4-1-2-13-11-4/h1-2,12H,3,10H2
InChIKeyYUJLHJBBNFNMHU-UHFFFAOYSA-N
XLogP0.85
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-1,1,1-trifluoro-2-(3-methyl-1,2-thiazol-5-yl)propan-2-ol
CID 130638070
4,4-Difluoro-1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol
CID 165492024
2-(1,2-Thiazol-3-yl)propan-2-ol
CID 119097575
3-Amino-2-(1,2-thiazol-3-yl)butan-2-ol
CID 130688438
1-Amino-2-(1,2-thiazol-3-yl)propan-2-ol
CID 130752218
1-Amino-3,3-dimethyl-2-(1,2-thiazol-3-yl)butan-2-ol
CID 130908848
1-Amino-3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol
CID 131048608

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-(1,2-thiazol-3-yl)propan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-(1,2-thiazol-3-yl)propan-2-ol (CID 130637739) is 3-amino-1,1,1-trifluoro-2-(1,2-thiazol-3-yl)propan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-(1,2-thiazol-3-yl)propan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-(1,2-thiazol-3-yl)propan-2-ol is NCC(O)(c1ccsn1)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-(1,2-thiazol-3-yl)propan-2-ol?
The InChIKey is YUJLHJBBNFNMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2OS/c7-6(8,9)5(12,3-10)4-1-2-13-11-4/h1-2,12H,3,10H2.
What are the key properties of 3-amino-1,1,1-trifluoro-2-(1,2-thiazol-3-yl)propan-2-ol?
3-amino-1,1,1-trifluoro-2-(1,2-thiazol-3-yl)propan-2-ol has a molecular weight of 212.20 g/mol, XLogP of 0.85, 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-(1,2-thiazol-3-yl)propan-2-ol is sourced from PubChem (CID 130637739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).