2-[propan-2-yl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]ethanol

C10H15F3N2OS — CID 91659889

IUPAC2-[propan-2-yl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]ethanol
SMILESCC(C)N(CCO)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C10H15F3N2OS/c1-7(2)15(3-4-16)5-9-14-8(6-17-9)10(11,12)13/h6-7,16H,3-5H2,1-2H3
InChIKeyQGQXTSDWILKJKY-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.36
Rot. Bonds5

About 2-[propan-2-yl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]ethanol

2-[propan-2-yl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]ethanol (PubChem CID 91659889) has the molecular formula C10H15F3N2OS and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-[propan-2-yl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[propan-2-yl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]ethanol
PubChem CID91659889
Molecular FormulaC10H15F3N2OS
Molecular Weight268.30 g/mol
Exact Mass268.09
IUPAC Name2-[propan-2-yl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]ethanol
SMILESCC(C)N(CCO)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C10H15F3N2OS/c1-7(2)15(3-4-16)5-9-14-8(6-17-9)10(11,12)13/h6-7,16H,3-5H2,1-2H3
InChIKeyQGQXTSDWILKJKY-UHFFFAOYSA-N
XLogP2.36
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]ethanol?
The IUPAC name of 2-[propan-2-yl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]ethanol (CID 91659889) is 2-[propan-2-yl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[propan-2-yl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[propan-2-yl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]ethanol is CC(C)N(CCO)Cc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-[propan-2-yl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]ethanol?
The InChIKey is QGQXTSDWILKJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2OS/c1-7(2)15(3-4-16)5-9-14-8(6-17-9)10(11,12)13/h6-7,16H,3-5H2,1-2H3.
What are the key properties of 2-[propan-2-yl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]ethanol?
2-[propan-2-yl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]ethanol has a molecular weight of 268.30 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]ethanol is sourced from PubChem (CID 91659889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).