1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

C16H18N2S2 — CID 104997202

IUPAC1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCCNC(Cc1csc(C)n1)c1csc2ccccc12
InChIInChI=1S/C16H18N2S2/c1-3-17-15(8-12-9-19-11(2)18-12)14-10-20-16-7-5-4-6-13(14)16/h4-7,9-10,15,17H,3,8H2,1-2H3
InChIKeyFXXLTASJZQVSCA-UHFFFAOYSA-N
MW302.47 g/mol
LogP4.56
Rot. Bonds5

About 1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 104997202) has the molecular formula C16H18N2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID104997202
Molecular FormulaC16H18N2S2
Molecular Weight302.47 g/mol
Exact Mass302.09
IUPAC Name1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCCNC(Cc1csc(C)n1)c1csc2ccccc12
InChIInChI=1S/C16H18N2S2/c1-3-17-15(8-12-9-19-11(2)18-12)14-10-20-16-7-5-4-6-13(14)16/h4-7,9-10,15,17H,3,8H2,1-2H3
InChIKeyFXXLTASJZQVSCA-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine
CID 43492291
1-(2,3-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105159055
1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065274
1-(2,4-dimethylphenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62798639
1-(1-benzothiophen-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 43492316
N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-naphthalen-2-ylethanamine
CID 62799174
1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997921
1-(4-bromo-2-fluorophenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 114906659
1-(1-benzothiophen-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 63737758
N-ethyl-1-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 55119799
N-[1-benzothiophen-3-yl-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 55108354
4-[1-(ethylamino)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylaniline
CID 105159159

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 104997202) is 1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is CCNC(Cc1csc(C)n1)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is FXXLTASJZQVSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S2/c1-3-17-15(8-12-9-19-11(2)18-12)14-10-20-16-7-5-4-6-13(14)16/h4-7,9-10,15,17H,3,8H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 302.47 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 104997202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).