1-amino-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol

C7H9F3N2OS — CID 106782230

IUPAC1-amino-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCC(O)(CN)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C7H9F3N2OS/c1-6(13,3-11)4-2-12-5(14-4)7(8,9)10/h2,13H,3,11H2,1H3
InChIKeyFHQSITLKPAAUFQ-UHFFFAOYSA-N
MW226.22 g/mol
LogP1.33
Rot. Bonds2

About 1-amino-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol

1-amino-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 106782230) has the molecular formula C7H9F3N2OS and a molecular weight of 226.22 g/mol. Its IUPAC name is 1-amino-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-amino-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
PubChem CID106782230
Molecular FormulaC7H9F3N2OS
Molecular Weight226.22 g/mol
Exact Mass226.04
IUPAC Name1-amino-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCC(O)(CN)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C7H9F3N2OS/c1-6(13,3-11)4-2-12-5(14-4)7(8,9)10/h2,13H,3,11H2,1H3
InChIKeyFHQSITLKPAAUFQ-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol
CID 106782217
4-(tert-butylamino)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol
CID 106784457
1,1-dimethoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 106782166
1-(4-bromophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106782345
N,4-dimethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine
CID 106784185
1-(2,4-dichloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106781987
2,2-dimethyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]propan-1-ol
CID 106782206
5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-amine
CID 106784187
1-amino-2-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62774941
2-amino-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106784750
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethylhydrazine
CID 106786712
2-(2-fluoropropan-2-yl)-1,3-thiazol-5-amine
CID 84764246

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 1-amino-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol (CID 106782230) is 1-amino-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1-amino-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 1-amino-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol is CC(O)(CN)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 1-amino-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is FHQSITLKPAAUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2OS/c1-6(13,3-11)4-2-12-5(14-4)7(8,9)10/h2,13H,3,11H2,1H3.
What are the key properties of 1-amino-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol?
1-amino-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 226.22 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 106782230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).