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

C11H11F3N2OS2 — CID 2738630

IUPAC1,1,1-trifluoro-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol
SMILESOC(CNCc1csc(-c2cccs2)n1)C(F)(F)F
InChIInChI=1S/C11H11F3N2OS2/c12-11(13,14)9(17)5-15-4-7-6-19-10(16-7)8-2-1-3-18-8/h1-3,6,9,15,17H,4-5H2
InChIKeyLJLJQLZBZCLECQ-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.88
Rot. Bonds5

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

1,1,1-trifluoro-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol (PubChem CID 2738630) has the molecular formula C11H11F3N2OS2 and a molecular weight of 308.35 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol
PubChem CID2738630
Molecular FormulaC11H11F3N2OS2
Molecular Weight308.35 g/mol
Exact Mass308.03
IUPAC Name1,1,1-trifluoro-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol
SMILESOC(CNCc1csc(-c2cccs2)n1)C(F)(F)F
InChIInChI=1S/C11H11F3N2OS2/c12-11(13,14)9(17)5-15-4-7-6-19-10(16-7)8-2-1-3-18-8/h1-3,6,9,15,17H,4-5H2
InChIKeyLJLJQLZBZCLECQ-UHFFFAOYSA-N
XLogP2.88
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol (CID 2738630) is 1,1,1-trifluoro-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol is OC(CNCc1csc(-c2cccs2)n1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol?
The InChIKey is LJLJQLZBZCLECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2OS2/c12-11(13,14)9(17)5-15-4-7-6-19-10(16-7)8-2-1-3-18-8/h1-3,6,9,15,17H,4-5H2.
What are the key properties of 1,1,1-trifluoro-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol?
1,1,1-trifluoro-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol has a molecular weight of 308.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 2738630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).