N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine

C10H15F3N2OS — CID 66275749

IUPACN-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(COC(C)C(F)(F)F)cs1
InChIInChI=1S/C10H15F3N2OS/c1-3-14-4-9-15-8(6-17-9)5-16-7(2)10(11,12)13/h6-7,14H,3-5H2,1-2H3
InChIKeyUFRHKDPRWYKBDG-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.72
Rot. Bonds6

About N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine

N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 66275749) has the molecular formula C10H15F3N2OS and a molecular weight of 268.30 g/mol. Its IUPAC name is N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID66275749
Molecular FormulaC10H15F3N2OS
Molecular Weight268.30 g/mol
Exact Mass268.09
IUPAC NameN-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(COC(C)C(F)(F)F)cs1
InChIInChI=1S/C10H15F3N2OS/c1-3-14-4-9-15-8(6-17-9)5-16-7(2)10(11,12)13/h6-7,14H,3-5H2,1-2H3
InChIKeyUFRHKDPRWYKBDG-UHFFFAOYSA-N
XLogP2.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine (CID 66275749) is N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine is CCNCc1nc(COC(C)C(F)(F)F)cs1.
What is the InChIKey of N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is UFRHKDPRWYKBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2OS/c1-3-14-4-9-15-8(6-17-9)5-16-7(2)10(11,12)13/h6-7,14H,3-5H2,1-2H3.
What are the key properties of N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 268.30 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 66275749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).