2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine

C16H24N2OS — CID 105016055

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine
SMILESCCc1ccc(C(Cc2nc(C(C)(C)C)cs2)NC)o1
InChIInChI=1S/C16H24N2OS/c1-6-11-7-8-13(19-11)12(17-5)9-15-18-14(10-20-15)16(2,3)4/h7-8,10,12,17H,6,9H2,1-5H3
InChIKeyNGHUHWFYGOUYGY-UHFFFAOYSA-N
MW292.45 g/mol
LogP4.10
Rot. Bonds5

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine (PubChem CID 105016055) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine
PubChem CID105016055
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine
SMILESCCc1ccc(C(Cc2nc(C(C)(C)C)cs2)NC)o1
InChIInChI=1S/C16H24N2OS/c1-6-11-7-8-13(19-11)12(17-5)9-15-18-14(10-20-15)16(2,3)4/h7-8,10,12,17H,6,9H2,1-5H3
InChIKeyNGHUHWFYGOUYGY-UHFFFAOYSA-N
XLogP4.10
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine
CID 106692687
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 79820357
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-iodophenyl)-N-methylethanamine
CID 105015883
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107946408
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
CID 105015930
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105169633
1-(5-ethylfuran-2-yl)-N,3-dimethylbutan-1-amine
CID 62346389
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethoxy-N,3-dimethylbutan-2-amine
CID 116726484
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 105169530
N-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 106887624
1-(5-ethylfuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019259
4-bromo-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-hydrazinylethyl]aniline
CID 105263391

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine (CID 105016055) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine is CCc1ccc(C(Cc2nc(C(C)(C)C)cs2)NC)o1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine?
The InChIKey is NGHUHWFYGOUYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-6-11-7-8-13(19-11)12(17-5)9-15-18-14(10-20-15)16(2,3)4/h7-8,10,12,17H,6,9H2,1-5H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine has a molecular weight of 292.45 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine is sourced from PubChem (CID 105016055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).