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

C12H19F3N2S — CID 114365128

IUPACN-[[4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CCC(F)(F)F)nc1C(C)C
InChIInChI=1S/C12H19F3N2S/c1-4-16-7-9-11(8(2)3)17-10(18-9)5-6-12(13,14)15/h8,16H,4-7H2,1-3H3
InChIKeyIEJHTBQCJGWUCI-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.87
Rot. Bonds6

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

N-[[4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114365128) has the molecular formula C12H19F3N2S and a molecular weight of 280.36 g/mol. Its IUPAC name is N-[[4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114365128
Molecular FormulaC12H19F3N2S
Molecular Weight280.36 g/mol
Exact Mass280.12
IUPAC NameN-[[4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CCC(F)(F)F)nc1C(C)C
InChIInChI=1S/C12H19F3N2S/c1-4-16-7-9-11(8(2)3)17-10(18-9)5-6-12(13,14)15/h8,16H,4-7H2,1-3H3
InChIKeyIEJHTBQCJGWUCI-UHFFFAOYSA-N
XLogP3.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 103150625
N-[[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82434587
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 103150626
N-[[4-ethyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842092
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-4-propan-2-yl-5-(propylaminomethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 79382866
5-(ethylaminomethyl)-N-methyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
CID 79395786
N-[[2-(2-ethoxyethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 106815449
N-[[4-propan-2-yl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107935540
N-butan-2-yl-N-ethyl-5-(ethylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79396441

Frequently Asked Questions

What is the IUPAC name of N-[[4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 114365128) is N-[[4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(CCC(F)(F)F)nc1C(C)C.
What is the InChIKey of N-[[4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is IEJHTBQCJGWUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2S/c1-4-16-7-9-11(8(2)3)17-10(18-9)5-6-12(13,14)15/h8,16H,4-7H2,1-3H3.
What are the key properties of N-[[4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 280.36 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114365128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).