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

C15H16N2OS — CID 63831691

IUPAC1-(1-benzofuran-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCC(NCCc1cscn1)c1cc2ccccc2o1
InChIInChI=1S/C15H16N2OS/c1-11(16-7-6-13-9-19-10-17-13)15-8-12-4-2-3-5-14(12)18-15/h2-5,8-11,16H,6-7H2,1H3
InChIKeyRXAFOIAPPBZXDZ-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.78
Rot. Bonds5

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

1-(1-benzofuran-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine (PubChem CID 63831691) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
PubChem CID63831691
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name1-(1-benzofuran-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCC(NCCc1cscn1)c1cc2ccccc2o1
InChIInChI=1S/C15H16N2OS/c1-11(16-7-6-13-9-19-10-17-13)15-8-12-4-2-3-5-14(12)18-15/h2-5,8-11,16H,6-7H2,1H3
InChIKeyRXAFOIAPPBZXDZ-UHFFFAOYSA-N
XLogP3.78
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106396498
1-(1-benzofuran-2-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 43093690
N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 63831315
3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol
CID 43182921
N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine
CID 43080080
1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine
CID 43403744
N-[1-(1-benzofuran-2-yl)ethyl]-3-methoxy-3-methylbutan-1-amine
CID 102978076
1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 104578514
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine
CID 43224187
3-[1-(1-benzofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 115709140
2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol
CID 43722013
1-(4-methylsulfanylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 55261999

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine (CID 63831691) is 1-(1-benzofuran-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine is CC(NCCc1cscn1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine?
The InChIKey is RXAFOIAPPBZXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-11(16-7-6-13-9-19-10-17-13)15-8-12-4-2-3-5-14(12)18-15/h2-5,8-11,16H,6-7H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine?
1-(1-benzofuran-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine has a molecular weight of 272.37 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 63831691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).