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

C11H15F3N2OS — CID 66274674

IUPACN-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCC(OCc1csc(CNC2CC2)n1)C(F)(F)F
InChIInChI=1S/C11H15F3N2OS/c1-7(11(12,13)14)17-5-9-6-18-10(16-9)4-15-8-2-3-8/h6-8,15H,2-5H2,1H3
InChIKeyCXAOGWNJOIHNSE-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.86
Rot. Bonds6

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

N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine (PubChem CID 66274674) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
PubChem CID66274674
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC NameN-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCC(OCc1csc(CNC2CC2)n1)C(F)(F)F
InChIInChI=1S/C11H15F3N2OS/c1-7(11(12,13)14)17-5-9-6-18-10(16-9)4-15-8-2-3-8/h6-8,15H,2-5H2,1H3
InChIKeyCXAOGWNJOIHNSE-UHFFFAOYSA-N
XLogP2.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.86
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]cyclopropanamine?
The IUPAC name of N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine (CID 66274674) is N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine is CC(OCc1csc(CNC2CC2)n1)C(F)(F)F.
What is the InChIKey of N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is CXAOGWNJOIHNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c1-7(11(12,13)14)17-5-9-6-18-10(16-9)4-15-8-2-3-8/h6-8,15H,2-5H2,1H3.
What are the key properties of N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 280.31 g/mol, XLogP of 2.86, 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]cyclopropanamine is sourced from PubChem (CID 66274674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).