N-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

C11H17F3N2OS — CID 103476414

IUPACN-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(COCC(F)(F)F)sc1CNC(C)C
InChIInChI=1S/C11H17F3N2OS/c1-7(2)15-4-9-8(3)16-10(18-9)5-17-6-11(12,13)14/h7,15H,4-6H2,1-3H3
InChIKeyAZFWHXOCRAWEMS-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.03
Rot. Bonds6

About N-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 103476414) has the molecular formula C11H17F3N2OS and a molecular weight of 282.33 g/mol. Its IUPAC name is N-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID103476414
Molecular FormulaC11H17F3N2OS
Molecular Weight282.33 g/mol
Exact Mass282.10
IUPAC NameN-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(COCC(F)(F)F)sc1CNC(C)C
InChIInChI=1S/C11H17F3N2OS/c1-7(2)15-4-9-8(3)16-10(18-9)5-17-6-11(12,13)14/h7,15H,4-6H2,1-3H3
InChIKeyAZFWHXOCRAWEMS-UHFFFAOYSA-N
XLogP3.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 103476414) is N-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is Cc1nc(COCC(F)(F)F)sc1CNC(C)C.
What is the InChIKey of N-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is AZFWHXOCRAWEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2OS/c1-7(2)15-4-9-8(3)16-10(18-9)5-17-6-11(12,13)14/h7,15H,4-6H2,1-3H3.
What are the key properties of N-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 282.33 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 103476414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).