1-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine

C14H16N4S — CID 65232248

IUPAC1-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
SMILESCC(NCCc1cnc[nH]1)c1nc2ccccc2s1
InChIInChI=1S/C14H16N4S/c1-10(16-7-6-11-8-15-9-17-11)14-18-12-4-2-3-5-13(12)19-14/h2-5,8-10,16H,6-7H2,1H3,(H,15,17)
InChIKeyAXNSKQMUPQWBHP-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.91
Rot. Bonds5

About 1-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine

1-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine (PubChem CID 65232248) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
PubChem CID65232248
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
SMILESCC(NCCc1cnc[nH]1)c1nc2ccccc2s1
InChIInChI=1S/C14H16N4S/c1-10(16-7-6-11-8-15-9-17-11)14-18-12-4-2-3-5-13(12)19-14/h2-5,8-10,16H,6-7H2,1H3,(H,15,17)
InChIKeyAXNSKQMUPQWBHP-UHFFFAOYSA-N
XLogP2.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 60672734
1-(1,3-benzothiazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777122
N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 62041087
1-(1,3-benzothiazol-2-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 103779283
1-(1,3-benzothiazol-2-yl)-N-[2-(5-bromothiophen-2-yl)ethyl]ethanamine
CID 103778873
1-(1,3-benzothiazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 54896322
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 43179013
1-(1,3-benzothiazol-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
CID 115713749
N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methylsulfinylpropan-1-amine
CID 113261728
1-(1,3-benzothiazol-2-yl)-N-(2-cyclopentylethyl)ethanamine
CID 54932145
2-(1,3-benzothiazol-2-yl)-2-[2-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-(2-methylsulfanylpyrimidin-4-yl)acetonitrile
CID 157075194
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62976259

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine (CID 65232248) is 1-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine is CC(NCCc1cnc[nH]1)c1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine?
The InChIKey is AXNSKQMUPQWBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-10(16-7-6-11-8-15-9-17-11)14-18-12-4-2-3-5-13(12)19-14/h2-5,8-10,16H,6-7H2,1H3,(H,15,17).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine?
1-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine has a molecular weight of 272.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 65232248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).