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

C11H17F3N2OS — CID 62446350

IUPAC2-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nc(COCC(F)(F)F)cs1
InChIInChI=1S/C11H17F3N2OS/c1-10(2,3)15-4-9-16-8(6-18-9)5-17-7-11(12,13)14/h6,15H,4-5,7H2,1-3H3
InChIKeyBQZPDEPZUSMKEX-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.11
Rot. Bonds5

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

2-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine (PubChem CID 62446350) has the molecular formula C11H17F3N2OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
PubChem CID62446350
Molecular FormulaC11H17F3N2OS
Molecular Weight282.33 g/mol
Exact Mass282.10
IUPAC Name2-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nc(COCC(F)(F)F)cs1
InChIInChI=1S/C11H17F3N2OS/c1-10(2,3)15-4-9-16-8(6-18-9)5-17-7-11(12,13)14/h6,15H,4-5,7H2,1-3H3
InChIKeyBQZPDEPZUSMKEX-UHFFFAOYSA-N
XLogP3.11
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.11
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-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine (CID 62446350) is 2-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine is CC(C)(C)NCc1nc(COCC(F)(F)F)cs1.
What is the InChIKey of 2-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The InChIKey is BQZPDEPZUSMKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2OS/c1-10(2,3)15-4-9-16-8(6-18-9)5-17-7-11(12,13)14/h6,15H,4-5,7H2,1-3H3.
What are the key properties of 2-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine has a molecular weight of 282.33 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62446350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).