1-(1-benzothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine

C13H12N2S2 — CID 105030509

IUPAC1-(1-benzothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESNC(Cc1cncs1)c1cc2ccccc2s1
InChIInChI=1S/C13H12N2S2/c14-11(6-10-7-15-8-16-10)13-5-9-3-1-2-4-12(9)17-13/h1-5,7-8,11H,6,14H2
InChIKeyQWWIAOMHOMLVJO-UHFFFAOYSA-N
MW260.39 g/mol
LogP3.60
Rot. Bonds3

About 1-(1-benzothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine

1-(1-benzothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 105030509) has the molecular formula C13H12N2S2 and a molecular weight of 260.39 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID105030509
Molecular FormulaC13H12N2S2
Molecular Weight260.39 g/mol
Exact Mass260.04
IUPAC Name1-(1-benzothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESNC(Cc1cncs1)c1cc2ccccc2s1
InChIInChI=1S/C13H12N2S2/c14-11(6-10-7-15-8-16-10)13-5-9-3-1-2-4-12(9)17-13/h1-5,7-8,11H,6,14H2
InChIKeyQWWIAOMHOMLVJO-UHFFFAOYSA-N
XLogP3.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzothiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethanamine
CID 105036767
1-(1-benzothiophen-2-yl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655446
1-(1-benzothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447688
1-furo[2,3-b]pyridin-2-yl-2-(1,3-thiazol-5-yl)ethanamine
CID 82384996
1-(1-benzothiophen-2-yl)-3-methylbutan-1-amine
CID 115782410
1-(4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 131042710
1-(1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844225
1-(1-benzothiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822474
1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642722
1-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 112642679
1-(1-benzothiophen-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105002034
1-(1-benzothiophen-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103043364

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine (CID 105030509) is 1-(1-benzothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine is NC(Cc1cncs1)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is QWWIAOMHOMLVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S2/c14-11(6-10-7-15-8-16-10)13-5-9-3-1-2-4-12(9)17-13/h1-5,7-8,11H,6,14H2.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine?
1-(1-benzothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 260.39 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 105030509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).