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

C14H23F3N2OS — CID 103476500

IUPACN-[[4-(2-methylpropyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)Cc1nc(COCC(F)(F)F)sc1CNC(C)C
InChIInChI=1S/C14H23F3N2OS/c1-9(2)5-11-12(6-18-10(3)4)21-13(19-11)7-20-8-14(15,16)17/h9-10,18H,5-8H2,1-4H3
InChIKeyGLIHNHBUWHFZNQ-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.92
Rot. Bonds8

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

N-[[4-(2-methylpropyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 103476500) has the molecular formula C14H23F3N2OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[[4-(2-methylpropyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2-methylpropyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID103476500
Molecular FormulaC14H23F3N2OS
Molecular Weight324.41 g/mol
Exact Mass324.15
IUPAC NameN-[[4-(2-methylpropyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)Cc1nc(COCC(F)(F)F)sc1CNC(C)C
InChIInChI=1S/C14H23F3N2OS/c1-9(2)5-11-12(6-18-10(3)4)21-13(19-11)7-20-8-14(15,16)17/h9-10,18H,5-8H2,1-4H3
InChIKeyGLIHNHBUWHFZNQ-UHFFFAOYSA-N
XLogP3.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[[4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 103476441
N-[[4-(methoxymethyl)-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366587
N-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 103472697
N-[[2,4-bis(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114369727
N-methyl-1-[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 114368436
N-[[4-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369093
N-[[2-(methoxymethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368906
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103150641
2-methyl-N-[[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369789
N-[[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369122
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103150582
N-[[4-ethyl-2-[(2-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82429024

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2-methylpropyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 103476500) is N-[[4-(2-methylpropyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2-methylpropyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2-methylpropyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CC(C)Cc1nc(COCC(F)(F)F)sc1CNC(C)C.
What is the InChIKey of N-[[4-(2-methylpropyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is GLIHNHBUWHFZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2OS/c1-9(2)5-11-12(6-18-10(3)4)21-13(19-11)7-20-8-14(15,16)17/h9-10,18H,5-8H2,1-4H3.
What are the key properties of N-[[4-(2-methylpropyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-(2-methylpropyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 324.41 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 103476500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).