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

C14H14N2OS — CID 112643022

IUPAC1-(1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
SMILESCNC(Cc1cncs1)c1cc2ccccc2o1
InChIInChI=1S/C14H14N2OS/c1-15-12(7-11-8-16-9-18-11)14-6-10-4-2-3-5-13(10)17-14/h2-6,8-9,12,15H,7H2,1H3
InChIKeySBNNLLGCZHAWCH-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.39
Rot. Bonds4

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

1-(1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 112643022) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID112643022
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name1-(1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
SMILESCNC(Cc1cncs1)c1cc2ccccc2o1
InChIInChI=1S/C14H14N2OS/c1-15-12(7-11-8-16-9-18-11)14-6-10-4-2-3-5-13(10)17-14/h2-6,8-9,12,15H,7H2,1H3
InChIKeySBNNLLGCZHAWCH-UHFFFAOYSA-N
XLogP3.39
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
CID 61064024
1-(1-benzofuran-2-yl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine
CID 104802037
N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177921
1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064663
1-(1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876336
1-(1-benzofuran-2-yl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 63091310
1-(1-benzofuran-2-yl)-N-methyldecan-1-amine
CID 63418238
1-(3-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642744
1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)-N-methylethanamine
CID 62504958
1-(4-iodophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030468
1-(2-chlorofuran-3-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 106692940
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine
CID 55012940

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine (CID 112643022) is 1-(1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine is CNC(Cc1cncs1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is SBNNLLGCZHAWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-15-12(7-11-8-16-9-18-11)14-6-10-4-2-3-5-13(10)17-14/h2-6,8-9,12,15H,7H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
1-(1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 258.35 g/mol, XLogP of 3.39, 4 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-methyl-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 112643022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).