[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine

C8H11F3N2OS — CID 66274673

IUPAC[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine
SMILESCC(OCc1csc(CN)n1)C(F)(F)F
InChIInChI=1S/C8H11F3N2OS/c1-5(8(9,10)11)14-3-6-4-15-7(2-12)13-6/h4-5H,2-3,12H2,1H3
InChIKeyOHKWCFAERSDRCS-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.07
Rot. Bonds4

About [4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine

[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 66274673) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is [4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine
PubChem CID66274673
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine
SMILESCC(OCc1csc(CN)n1)C(F)(F)F
InChIInChI=1S/C8H11F3N2OS/c1-5(8(9,10)11)14-3-6-4-15-7(2-12)13-6/h4-5H,2-3,12H2,1H3
InChIKeyOHKWCFAERSDRCS-UHFFFAOYSA-N
XLogP2.07
TPSA48.14 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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine (CID 66274673) is [4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine is CC(OCc1csc(CN)n1)C(F)(F)F.
What is the InChIKey of [4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is OHKWCFAERSDRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-5(8(9,10)11)14-3-6-4-15-7(2-12)13-6/h4-5H,2-3,12H2,1H3.
What are the key properties of [4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine?
[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 240.25 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 66274673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).