1-[2-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanamine

C15H14N2S2 — CID 43189263

IUPAC1-[2-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanamine
SMILESCC(N)c1ccccc1Sc1nc2ccccc2s1
InChIInChI=1S/C15H14N2S2/c1-10(16)11-6-2-4-8-13(11)18-15-17-12-7-3-5-9-14(12)19-15/h2-10H,16H2,1H3
InChIKeyDXVQWNNKIXKXFG-UHFFFAOYSA-N
MW286.43 g/mol
LogP4.47
Rot. Bonds3

About 1-[2-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanamine

1-[2-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanamine (PubChem CID 43189263) has the molecular formula C15H14N2S2 and a molecular weight of 286.43 g/mol. Its IUPAC name is 1-[2-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanamine
PubChem CID43189263
Molecular FormulaC15H14N2S2
Molecular Weight286.43 g/mol
Exact Mass286.06
IUPAC Name1-[2-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanamine
SMILESCC(N)c1ccccc1Sc1nc2ccccc2s1
InChIInChI=1S/C15H14N2S2/c1-10(16)11-6-2-4-8-13(11)18-15-17-12-7-3-5-9-14(12)19-15/h2-10H,16H2,1H3
InChIKeyDXVQWNNKIXKXFG-UHFFFAOYSA-N
XLogP4.47
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-fluorophenyl]ethanol
CID 63813808
1-[2-(1,3-benzothiazol-2-ylsulfanyl)-4-bromophenyl]ethanol
CID 82973200
2-(6-methylpyrimidin-4-yl)sulfanyl-1,3-benzothiazole
CID 78843311
1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanol
CID 63814574
[2-(1,3-benzothiazol-2-ylsulfanyl)phenyl]thiourea
CID 169360129
2-amino-3-(1,3-benzothiazol-2-ylsulfanyl)benzoic acid
CID 115547402
ethane;2-methylsulfanyl-1,3-benzothiazole
CID 143023766
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3-benzothiazole
CID 21234014
1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]-N-methylethanamine
CID 43286117
2-[(2S)-but-3-yn-2-yl]sulfanyl-1,3-benzothiazole
CID 94044815
4-(1,3-benzothiazol-2-ylsulfanyl)-1,3-thiazol-2-amine
CID 90885082
N-(1,3-benzothiazol-2-yldisulfanyl)-N-propan-2-ylpropan-2-amine
CID 21441515

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanamine?
The IUPAC name of 1-[2-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanamine (CID 43189263) is 1-[2-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanamine?
The canonical SMILES for 1-[2-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanamine is CC(N)c1ccccc1Sc1nc2ccccc2s1.
What is the InChIKey of 1-[2-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanamine?
The InChIKey is DXVQWNNKIXKXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S2/c1-10(16)11-6-2-4-8-13(11)18-15-17-12-7-3-5-9-14(12)19-15/h2-10H,16H2,1H3.
What are the key properties of 1-[2-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanamine?
1-[2-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanamine has a molecular weight of 286.43 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanamine is sourced from PubChem (CID 43189263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).