N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-5-yl)ethanamine

C16H18N2OS — CID 105177921

IUPACN-ethyl-1-(5-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESCCNC(Cc1cncs1)c1cc2cc(C)ccc2o1
InChIInChI=1S/C16H18N2OS/c1-3-18-14(8-13-9-17-10-20-13)16-7-12-6-11(2)4-5-15(12)19-16/h4-7,9-10,14,18H,3,8H2,1-2H3
InChIKeyBEKMJRUIHLNOIJ-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.09
Rot. Bonds5

About N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-5-yl)ethanamine

N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 105177921) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID105177921
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-ethyl-1-(5-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESCCNC(Cc1cncs1)c1cc2cc(C)ccc2o1
InChIInChI=1S/C16H18N2OS/c1-3-18-14(8-13-9-17-10-20-13)16-7-12-6-11(2)4-5-15(12)19-16/h4-7,9-10,14,18H,3,8H2,1-2H3
InChIKeyBEKMJRUIHLNOIJ-UHFFFAOYSA-N
XLogP4.09
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-4-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 106858475
N-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 106792380
1-(1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112643022
N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
CID 105163930
N-[(5-methyl-1-benzofuran-2-yl)-(1,3-thiazol-5-yl)methyl]propan-1-amine
CID 114730213
N,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105045193
2-tert-butylsulfanyl-N-ethyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 114728947
N-ethyl-1-(5-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030608
1-(3-bromo-5-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030297
N-[1-(2,4-dimethylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105030701
N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hex-5-yn-1-amine
CID 105179544
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine
CID 55012940

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-5-yl)ethanamine (CID 105177921) is N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-5-yl)ethanamine is CCNC(Cc1cncs1)c1cc2cc(C)ccc2o1.
What is the InChIKey of N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is BEKMJRUIHLNOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-3-18-14(8-13-9-17-10-20-13)16-7-12-6-11(2)4-5-15(12)19-16/h4-7,9-10,14,18H,3,8H2,1-2H3.
What are the key properties of N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-5-yl)ethanamine?
N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 286.40 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 105177921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).