1-(3-ethoxyphenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine

C18H20N2O2S — CID 86864116

IUPAC1-(3-ethoxyphenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCOc1cccc(C(C)NCc2csc(-c3ccco3)n2)c1
InChIInChI=1S/C18H20N2O2S/c1-3-21-16-7-4-6-14(10-16)13(2)19-11-15-12-23-18(20-15)17-8-5-9-22-17/h4-10,12-13,19H,3,11H2,1-2H3
InChIKeyRQCKUQFWXGWTQK-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.65
Rot. Bonds7

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

1-(3-ethoxyphenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 86864116) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID86864116
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name1-(3-ethoxyphenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCOc1cccc(C(C)NCc2csc(-c3ccco3)n2)c1
InChIInChI=1S/C18H20N2O2S/c1-3-21-16-7-4-6-14(10-16)13(2)19-11-15-12-23-18(20-15)17-8-5-9-22-17/h4-10,12-13,19H,3,11H2,1-2H3
InChIKeyRQCKUQFWXGWTQK-UHFFFAOYSA-N
XLogP4.65
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 115592159
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]butan-1-ol
CID 110884307
3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]pentan-1-ol
CID 111449190
(1S)-N-[(3-ethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402683
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 133492755
4-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103258113
N-[(1S)-1-(3-ethoxyphenyl)ethyl]butan-1-amine
CID 99695653
tert-butyl N-[1-(furan-2-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]propyl]carbamate
CID 166392197
(1R)-1-(3-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81376055
1-(furan-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43234418
1-(3-ethoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]ethanamine
CID 22111156
N-[[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61281646

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of 1-(3-ethoxyphenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine (CID 86864116) is 1-(3-ethoxyphenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for 1-(3-ethoxyphenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine is CCOc1cccc(C(C)NCc2csc(-c3ccco3)n2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is RQCKUQFWXGWTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-3-21-16-7-4-6-14(10-16)13(2)19-11-15-12-23-18(20-15)17-8-5-9-22-17/h4-10,12-13,19H,3,11H2,1-2H3.
What are the key properties of 1-(3-ethoxyphenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
1-(3-ethoxyphenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 328.44 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 86864116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).