1,1,1-trifluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol

C8H11F3N2OS — CID 63902096

IUPAC1,1,1-trifluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
SMILESCc1csc(CNCC(O)C(F)(F)F)n1
InChIInChI=1S/C8H11F3N2OS/c1-5-4-15-7(13-5)3-12-2-6(14)8(9,10)11/h4,6,12,14H,2-3H2,1H3
InChIKeyHULRZOUNKHYUGE-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.46
Rot. Bonds4

About 1,1,1-trifluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol

1,1,1-trifluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol (PubChem CID 63902096) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
PubChem CID63902096
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name1,1,1-trifluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
SMILESCc1csc(CNCC(O)C(F)(F)F)n1
InChIInChI=1S/C8H11F3N2OS/c1-5-4-15-7(13-5)3-12-2-6(14)8(9,10)11/h4,6,12,14H,2-3H2,1H3
InChIKeyHULRZOUNKHYUGE-UHFFFAOYSA-N
XLogP1.46
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol (CID 63902096) is 1,1,1-trifluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol is Cc1csc(CNCC(O)C(F)(F)F)n1.
What is the InChIKey of 1,1,1-trifluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
The InChIKey is HULRZOUNKHYUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-5-4-15-7(13-5)3-12-2-6(14)8(9,10)11/h4,6,12,14H,2-3H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
1,1,1-trifluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol has a molecular weight of 240.25 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 63902096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).