1-(1-benzothiophen-7-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

C16H18N2S2 — CID 81153300

IUPAC1-(1-benzothiophen-7-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nc(C)cs1)c1cccc2ccsc12
InChIInChI=1S/C16H18N2S2/c1-3-17-14(9-15-18-11(2)10-20-15)13-6-4-5-12-7-8-19-16(12)13/h4-8,10,14,17H,3,9H2,1-2H3
InChIKeyFQDYDQZEEBSCHQ-UHFFFAOYSA-N
MW302.47 g/mol
LogP4.56
Rot. Bonds5

About 1-(1-benzothiophen-7-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

1-(1-benzothiophen-7-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 81153300) has the molecular formula C16H18N2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID81153300
Molecular FormulaC16H18N2S2
Molecular Weight302.47 g/mol
Exact Mass302.09
IUPAC Name1-(1-benzothiophen-7-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nc(C)cs1)c1cccc2ccsc12
InChIInChI=1S/C16H18N2S2/c1-3-17-14(9-15-18-11(2)10-20-15)13-6-4-5-12-7-8-19-16(12)13/h4-8,10,14,17H,3,9H2,1-2H3
InChIKeyFQDYDQZEEBSCHQ-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

N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(2-methylthiophen-3-yl)ethanamine
CID 102832315
1-(2-chlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62794990
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106645514
1-(2-tert-butylphenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019330
N-ethyl-1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62796536
1-(2-chlorofuran-3-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106692760
1-(1-benzothiophen-7-yl)-N-ethyl-3-methylsulfanylpropan-1-amine
CID 105172818
1-(2,5-dichlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62797403
N-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 82769448
1-(1-benzothiophen-7-yl)-2-cyclopentylsulfanyl-N-ethylethanamine
CID 81153093
N-[1-(2-ethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105019191
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 102812689

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 81153300) is 1-(1-benzothiophen-7-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is CCNC(Cc1nc(C)cs1)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is FQDYDQZEEBSCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S2/c1-3-17-14(9-15-18-11(2)10-20-15)13-6-4-5-12-7-8-19-16(12)13/h4-8,10,14,17H,3,9H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
1-(1-benzothiophen-7-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-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-7-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 81153300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).