1,1,1-trifluoro-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propan-2-ol

C8H11F3N2OS — CID 63900623

IUPAC1,1,1-trifluoro-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propan-2-ol
SMILESCN(Cc1cscn1)CC(O)C(F)(F)F
InChIInChI=1S/C8H11F3N2OS/c1-13(2-6-4-15-5-12-6)3-7(14)8(9,10)11/h4-5,7,14H,2-3H2,1H3
InChIKeyZLKRMYNBEUNETN-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.50
Rot. Bonds4

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

1,1,1-trifluoro-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propan-2-ol (PubChem CID 63900623) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propan-2-ol
PubChem CID63900623
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name1,1,1-trifluoro-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propan-2-ol
SMILESCN(Cc1cscn1)CC(O)C(F)(F)F
InChIInChI=1S/C8H11F3N2OS/c1-13(2-6-4-15-5-12-6)3-7(14)8(9,10)11/h4-5,7,14H,2-3H2,1H3
InChIKeyZLKRMYNBEUNETN-UHFFFAOYSA-N
XLogP1.50
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Methyl(thiazol-4-ylmethyl)amino)butan-2-ol
CID 72115547
2-[Propan-2-yl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]ethanol
CID 91659889
2-[[(2S)-butan-2-yl]-(1,3-thiazol-4-ylmethyl)amino]ethanol
CID 124298211
N-(1,3-thiazol-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61221373
1,1,1-Trifluoro-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 61529784
1,1,1-Trifluoro-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
CID 63900831
1,1,1-Trifluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 63902096
2-[1,3-Thiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257785
2-(2,2-difluoroethoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 103081055
1,1,1-Trifluoro-3-(1,3-thiazol-4-ylmethylamino)propan-2-ol
CID 103625342
3-[(2-Ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 103625343
1,1-Difluoro-3-(1,3-thiazol-4-ylmethylamino)propan-2-ol
CID 103731456

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propan-2-ol (CID 63900623) is 1,1,1-trifluoro-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propan-2-ol is CN(Cc1cscn1)CC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propan-2-ol?
The InChIKey is ZLKRMYNBEUNETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-13(2-6-4-15-5-12-6)3-7(14)8(9,10)11/h4-5,7,14H,2-3H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propan-2-ol?
1,1,1-trifluoro-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propan-2-ol has a molecular weight of 240.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 63900623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).