N-[[4-ethyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

C13H21F3N2S — CID 104842092

IUPACN-[[4-ethyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1nc(CCC(F)(F)F)sc1CNCC(C)C
InChIInChI=1S/C13H21F3N2S/c1-4-10-11(8-17-7-9(2)3)19-12(18-10)5-6-13(14,15)16/h9,17H,4-8H2,1-3H3
InChIKeyYRQFLEVDHNSDCW-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.95
Rot. Bonds7

About N-[[4-ethyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[4-ethyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 104842092) has the molecular formula C13H21F3N2S and a molecular weight of 294.39 g/mol. Its IUPAC name is N-[[4-ethyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID104842092
Molecular FormulaC13H21F3N2S
Molecular Weight294.39 g/mol
Exact Mass294.14
IUPAC NameN-[[4-ethyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1nc(CCC(F)(F)F)sc1CNCC(C)C
InChIInChI=1S/C13H21F3N2S/c1-4-10-11(8-17-7-9(2)3)19-12(18-10)5-6-13(14,15)16/h9,17H,4-8H2,1-3H3
InChIKeyYRQFLEVDHNSDCW-UHFFFAOYSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-ethyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-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-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82431144
N-[[4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114365128
N-[[4-ethyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82429387
2-methyl-N-[(4-propan-2-yl-2-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 82433844
N-[[4-propyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114364519
N-[[4-(2-methylpropyl)-2-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368491
N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767142
N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842098
N-[[2-ethyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368564
2-methyl-N-[(2-methyl-4-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 82431222
N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82428338

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-ethyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 104842092) is N-[[4-ethyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-ethyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-ethyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is CCc1nc(CCC(F)(F)F)sc1CNCC(C)C.
What is the InChIKey of N-[[4-ethyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is YRQFLEVDHNSDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2S/c1-4-10-11(8-17-7-9(2)3)19-12(18-10)5-6-13(14,15)16/h9,17H,4-8H2,1-3H3.
What are the key properties of N-[[4-ethyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[4-ethyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 294.39 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 104842092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).