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

C15H16N2OS — CID 79095111

IUPAC2-(1,3-benzothiazol-2-yl)-1-(5-ethylfuran-2-yl)ethanamine
SMILESCCc1ccc(C(N)Cc2nc3ccccc3s2)o1
InChIInChI=1S/C15H16N2OS/c1-2-10-7-8-13(18-10)11(16)9-15-17-12-5-3-4-6-14(12)19-15/h3-8,11H,2,9,16H2,1H3
InChIKeyFKXSNRIUMDEHCB-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.69
Rot. Bonds4

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

2-(1,3-benzothiazol-2-yl)-1-(5-ethylfuran-2-yl)ethanamine (PubChem CID 79095111) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(5-ethylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(5-ethylfuran-2-yl)ethanamine
PubChem CID79095111
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(5-ethylfuran-2-yl)ethanamine
SMILESCCc1ccc(C(N)Cc2nc3ccccc3s2)o1
InChIInChI=1S/C15H16N2OS/c1-2-10-7-8-13(18-10)11(16)9-15-17-12-5-3-4-6-14(12)19-15/h3-8,11H,2,9,16H2,1H3
InChIKeyFKXSNRIUMDEHCB-UHFFFAOYSA-N
XLogP3.69
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-2-yl)pentan-2-amine
CID 43118668
2-(1,3-benzothiazol-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 43118621
2-(1,3-benzothiazol-2-yl)-1-(4-bromophenyl)ethanamine
CID 43118698
1-(1,3-benzothiazol-2-yl)-3-phenylpentan-2-amine
CID 105016121
2-(2-chlorobutyl)-1,3-benzothiazole
CID 63202547
1-(1,3-benzothiazol-2-yl)-3-methoxypropan-2-amine
CID 63197747
2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105169681
2-(2-phenylbutyl)-1,3-benzothiazole
CID 56999152
1-(1,3-benzothiazol-2-yl)-4-phenylbutan-2-amine
CID 43118679
1-(1,3-benzothiazol-2-yl)-3-propoxypropan-2-amine
CID 79818856
2-(1,3-benzothiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80738576
2-(1,3-benzothiazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 79754913

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(5-ethylfuran-2-yl)ethanamine?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(5-ethylfuran-2-yl)ethanamine (CID 79095111) is 2-(1,3-benzothiazol-2-yl)-1-(5-ethylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(5-ethylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(5-ethylfuran-2-yl)ethanamine is CCc1ccc(C(N)Cc2nc3ccccc3s2)o1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(5-ethylfuran-2-yl)ethanamine?
The InChIKey is FKXSNRIUMDEHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-2-10-7-8-13(18-10)11(16)9-15-17-12-5-3-4-6-14(12)19-15/h3-8,11H,2,9,16H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(5-ethylfuran-2-yl)ethanamine?
2-(1,3-benzothiazol-2-yl)-1-(5-ethylfuran-2-yl)ethanamine has a molecular weight of 272.37 g/mol, XLogP of 3.69, 4 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)-1-(5-ethylfuran-2-yl)ethanamine is sourced from PubChem (CID 79095111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).