1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-4-yl]ethanamine

C13H12N2S2 — CID 64542695

IUPAC1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCC(N)c1csc(-c2csc3ccccc23)n1
InChIInChI=1S/C13H12N2S2/c1-8(14)11-7-17-13(15-11)10-6-16-12-5-3-2-4-9(10)12/h2-8H,14H2,1H3
InChIKeyKHRZYQSQGJDBML-UHFFFAOYSA-N
MW260.39 g/mol
LogP4.04
Rot. Bonds2

About 1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-4-yl]ethanamine

1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 64542695) has the molecular formula C13H12N2S2 and a molecular weight of 260.39 g/mol. Its IUPAC name is 1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-4-yl]ethanamine
PubChem CID64542695
Molecular FormulaC13H12N2S2
Molecular Weight260.39 g/mol
Exact Mass260.04
IUPAC Name1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCC(N)c1csc(-c2csc3ccccc23)n1
InChIInChI=1S/C13H12N2S2/c1-8(14)11-7-17-13(15-11)10-6-16-12-5-3-2-4-9(10)12/h2-8H,14H2,1H3
InChIKeyKHRZYQSQGJDBML-UHFFFAOYSA-N
XLogP4.04
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanamine
CID 104504761
(1R)-1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
CID 95377650
1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
CID 64544065
1-(2-phenyl-1,3-thiazol-4-yl)ethanamine
CID 12009827
2-[5-(1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 55102006
2-(1-benzothiophen-3-yl)-5-bromo-1,3-thiazol-4-amine
CID 116864381
1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 55108350
1-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]ethanamine
CID 103445012
1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine
CID 64545330
N-[1-[2-(1-benzothiophen-3-yl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62699797
1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine
CID 43150910
1-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]ethanamine
CID 64542652

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-4-yl]ethanamine (CID 64542695) is 1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-4-yl]ethanamine is CC(N)c1csc(-c2csc3ccccc23)n1.
What is the InChIKey of 1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is KHRZYQSQGJDBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S2/c1-8(14)11-7-17-13(15-11)10-6-16-12-5-3-2-4-9(10)12/h2-8H,14H2,1H3.
What are the key properties of 1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-4-yl]ethanamine?
1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 260.39 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 64542695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).