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

C12H19F3N2OS — CID 66275537

IUPAC2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nc(COC(C)C(F)(F)F)cs1
InChIInChI=1S/C12H19F3N2OS/c1-8(2)4-16-5-11-17-10(7-19-11)6-18-9(3)12(13,14)15/h7-9,16H,4-6H2,1-3H3
InChIKeyGKDLRZHJZQWPSE-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.36
Rot. Bonds7

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

2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine (PubChem CID 66275537) has the molecular formula C12H19F3N2OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
PubChem CID66275537
Molecular FormulaC12H19F3N2OS
Molecular Weight296.36 g/mol
Exact Mass296.12
IUPAC Name2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nc(COC(C)C(F)(F)F)cs1
InChIInChI=1S/C12H19F3N2OS/c1-8(2)4-16-5-11-17-10(7-19-11)6-18-9(3)12(13,14)15/h7-9,16H,4-6H2,1-3H3
InChIKeyGKDLRZHJZQWPSE-UHFFFAOYSA-N
XLogP3.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine (CID 66275537) is 2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine is CC(C)CNCc1nc(COC(C)C(F)(F)F)cs1.
What is the InChIKey of 2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The InChIKey is GKDLRZHJZQWPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2OS/c1-8(2)4-16-5-11-17-10(7-19-11)6-18-9(3)12(13,14)15/h7-9,16H,4-6H2,1-3H3.
What are the key properties of 2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine has a molecular weight of 296.36 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 66275537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).