2-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)ethanamine

C13H11ClN2S2 — CID 83987490

IUPAC2-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)ethanamine
SMILESNCC(c1ccc(Cl)s1)c1nc2ccccc2s1
InChIInChI=1S/C13H11ClN2S2/c14-12-6-5-10(17-12)8(7-15)13-16-9-3-1-2-4-11(9)18-13/h1-6,8H,7,15H2
InChIKeyOIVIILFCHYFENA-UHFFFAOYSA-N
MW294.83 g/mol
LogP4.10
Rot. Bonds3

About 2-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)ethanamine

2-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)ethanamine (PubChem CID 83987490) has the molecular formula C13H11ClN2S2 and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)ethanamine
PubChem CID83987490
Molecular FormulaC13H11ClN2S2
Molecular Weight294.83 g/mol
Exact Mass294.01
IUPAC Name2-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)ethanamine
SMILESNCC(c1ccc(Cl)s1)c1nc2ccccc2s1
InChIInChI=1S/C13H11ClN2S2/c14-12-6-5-10(17-12)8(7-15)13-16-9-3-1-2-4-11(9)18-13/h1-6,8H,7,15H2
InChIKeyOIVIILFCHYFENA-UHFFFAOYSA-N
XLogP4.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chlorothiophen-2-yl)-2-(2,6-dichlorophenyl)ethanamine
CID 83987226
2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanol
CID 66461877
1-(1,3-benzothiazol-2-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 103779283
2-(5-chlorothiophen-2-yl)-2-pyridazin-3-ylethanamine
CID 116833571
1-(1,3-benzothiazol-2-yl)-3,3,3-trifluoropropan-1-amine
CID 82384630
1-(1,3-benzothiazol-2-yl)-3-phenylbutan-1-amine
CID 61100465
fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole)
CID 167583467
1-(1,3-benzothiazol-2-yl)prop-2-en-1-amine
CID 67137210
2-amino-1-(1,3-benzothiazol-2-yl)-3-phenylpropan-1-ol;hydrochloride
CID 22284169
2-[1-[2-(1,3-benzothiazol-2-yl)propyldisulfanyl]propan-2-yl]-1,3-benzothiazole
CID 139653481
1-(1,3-benzothiazol-2-yl)-2-[4-(4-chlorophenyl)piperazin-1-yl]ethanamine
CID 70186942
N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-chloro-4-fluoroaniline
CID 43086158

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)ethanamine?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)ethanamine (CID 83987490) is 2-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)ethanamine?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)ethanamine is NCC(c1ccc(Cl)s1)c1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)ethanamine?
The InChIKey is OIVIILFCHYFENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2S2/c14-12-6-5-10(17-12)8(7-15)13-16-9-3-1-2-4-11(9)18-13/h1-6,8H,7,15H2.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)ethanamine?
2-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)ethanamine has a molecular weight of 294.83 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)ethanamine is sourced from PubChem (CID 83987490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).