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

C17H20N2OS — CID 114365059

IUPACN-[[2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2coc3ccccc23)nc1C(C)C
InChIInChI=1S/C17H20N2OS/c1-4-18-9-15-16(11(2)3)19-17(21-15)13-10-20-14-8-6-5-7-12(13)14/h5-8,10-11,18H,4,9H2,1-3H3
InChIKeyXXGHINWBFLYEFI-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.79
Rot. Bonds5

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

N-[[2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114365059) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[[2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114365059
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-[[2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2coc3ccccc23)nc1C(C)C
InChIInChI=1S/C17H20N2OS/c1-4-18-9-15-16(11(2)3)19-17(21-15)13-10-20-14-8-6-5-7-12(13)14/h5-8,10-11,18H,4,9H2,1-3H3
InChIKeyXXGHINWBFLYEFI-UHFFFAOYSA-N
XLogP4.79
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82434874
N-[[4-propan-2-yl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107935540
N-[[4-propan-2-yl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114365080
N-[[2-(1,3-dihydroisoindol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79381940
N-[(2-phenyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 82433713
2-(1-benzofuran-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 116887739
[2-(2-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 82433632
2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373445
N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114365037
N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82434875
N-[[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82434587
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-[[2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine (CID 114365059) is N-[[2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(-c2coc3ccccc23)nc1C(C)C.
What is the InChIKey of N-[[2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is XXGHINWBFLYEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-4-18-9-15-16(11(2)3)19-17(21-15)13-10-20-14-8-6-5-7-12(13)14/h5-8,10-11,18H,4,9H2,1-3H3.
What are the key properties of N-[[2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 300.43 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114365059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).