1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol

C5H5F3N2OS — CID 87904345

IUPAC1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol
SMILESNc1ncc(C(O)C(F)(F)F)s1
InChIInChI=1S/C5H5F3N2OS/c6-5(7,8)3(11)2-1-10-4(9)12-2/h1,3,11H,(H2,9,10)
InChIKeyZEDMAZMTDDKKDM-UHFFFAOYSA-N
MW198.17 g/mol
LogP1.32
Rot. Bonds1

About 1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol

1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol (PubChem CID 87904345) has the molecular formula C5H5F3N2OS and a molecular weight of 198.17 g/mol. Its IUPAC name is 1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol
PubChem CID87904345
Molecular FormulaC5H5F3N2OS
Molecular Weight198.17 g/mol
Exact Mass198.01
IUPAC Name1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol
SMILESNc1ncc(C(O)C(F)(F)F)s1
InChIInChI=1S/C5H5F3N2OS/c6-5(7,8)3(11)2-1-10-4(9)12-2/h1,3,11H,(H2,9,10)
InChIKeyZEDMAZMTDDKKDM-UHFFFAOYSA-N
XLogP1.32
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol (CID 87904345) is 1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol is Nc1ncc(C(O)C(F)(F)F)s1.
What is the InChIKey of 1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol?
The InChIKey is ZEDMAZMTDDKKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2OS/c6-5(7,8)3(11)2-1-10-4(9)12-2/h1,3,11H,(H2,9,10).
What are the key properties of 1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol?
1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol has a molecular weight of 198.17 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 87904345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).