1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine

C17H22N2OS — CID 104584906

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine
SMILESCCC(NCC(C)c1nccs1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H22N2OS/c1-3-15(19-11-12(2)17-18-7-9-21-17)13-4-5-16-14(10-13)6-8-20-16/h4-5,7,9-10,12,15,19H,3,6,8,11H2,1-2H3
InChIKeyFVYOZKLZYJSJRI-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.92
Rot. Bonds6

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine

1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine (PubChem CID 104584906) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine
PubChem CID104584906
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine
SMILESCCC(NCC(C)c1nccs1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H22N2OS/c1-3-15(19-11-12(2)17-18-7-9-21-17)13-4-5-16-14(10-13)6-8-20-16/h4-5,7,9-10,12,15,19H,3,6,8,11H2,1-2H3
InChIKeyFVYOZKLZYJSJRI-UHFFFAOYSA-N
XLogP3.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine with MolForge

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Related Compounds

N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine
CID 43756451
N-[2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-2-yl)methyl]ethanamine
CID 61330790
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine
CID 62693058
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2,3-dimethylbutan-1-amine
CID 64568486
1-phenyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine
CID 113429643
3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-1,1,1-trifluoropropan-2-ol
CID 103778642
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine
CID 43756597
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-3-methylsulfanylbutan-1-amine
CID 115716082
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
N-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 43757036
methyl 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]propanoate
CID 43774755
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114955137

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine (CID 104584906) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine is CCC(NCC(C)c1nccs1)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine?
The InChIKey is FVYOZKLZYJSJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-3-15(19-11-12(2)17-18-7-9-21-17)13-4-5-16-14(10-13)6-8-20-16/h4-5,7,9-10,12,15,19H,3,6,8,11H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine has a molecular weight of 302.44 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine is sourced from PubChem (CID 104584906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).