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

C17H20N2OS — CID 61043837

IUPAC1-(3-ethyl-1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCc1c(C(C)NCc2nc(C)cs2)oc2ccccc12
InChIInChI=1S/C17H20N2OS/c1-4-13-14-7-5-6-8-15(14)20-17(13)12(3)18-9-16-19-11(2)10-21-16/h5-8,10,12,18H,4,9H2,1-3H3
InChIKeyWEBHVRNNFFOVDB-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.61
Rot. Bonds5

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

1-(3-ethyl-1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 61043837) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-(3-ethyl-1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-ethyl-1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID61043837
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name1-(3-ethyl-1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCc1c(C(C)NCc2nc(C)cs2)oc2ccccc12
InChIInChI=1S/C17H20N2OS/c1-4-13-14-7-5-6-8-15(14)20-17(13)12(3)18-9-16-19-11(2)10-21-16/h5-8,10,12,18H,4,9H2,1-3H3
InChIKeyWEBHVRNNFFOVDB-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-1-benzofuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281276
1-(3-ethyl-1-benzofuran-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204821
1-(3-ethyl-1-benzofuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63001771
N',N'-diethyl-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]ethane-1,2-diamine
CID 43108977
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43099760
2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide
CID 43551834
1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912825
2-[2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
CID 43207567
(1R)-1-(2-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81379728
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 104578869
4-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenol
CID 54912829
3-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103921055

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(3-ethyl-1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 61043837) is 1-(3-ethyl-1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-ethyl-1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-ethyl-1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is CCc1c(C(C)NCc2nc(C)cs2)oc2ccccc12.
What is the InChIKey of 1-(3-ethyl-1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is WEBHVRNNFFOVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-4-13-14-7-5-6-8-15(14)20-17(13)12(3)18-9-16-19-11(2)10-21-16/h5-8,10,12,18H,4,9H2,1-3H3.
What are the key properties of 1-(3-ethyl-1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
1-(3-ethyl-1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 300.43 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 61043837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).