2-(1,3-benzothiazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine

C13H16N2OS2 — CID 104755154

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine
SMILESNC(CSc1nc2ccccc2s1)C1CCOC1
InChIInChI=1S/C13H16N2OS2/c14-10(9-5-6-16-7-9)8-17-13-15-11-3-1-2-4-12(11)18-13/h1-4,9-10H,5-8,14H2
InChIKeyAZXZVGPSEOOLAR-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.75
Rot. Bonds4

About 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine

2-(1,3-benzothiazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine (PubChem CID 104755154) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine
PubChem CID104755154
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine
SMILESNC(CSc1nc2ccccc2s1)C1CCOC1
InChIInChI=1S/C13H16N2OS2/c14-10(9-5-6-16-7-9)8-17-13-15-11-3-1-2-4-12(11)18-13/h1-4,9-10H,5-8,14H2
InChIKeyAZXZVGPSEOOLAR-UHFFFAOYSA-N
XLogP2.75
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-benzothiazol-2-ylsulfanyl)-1,1,1-trifluoropropan-2-amine
CID 21478228
2-(4-chlorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 66144366
1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755249
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115720283
(2R)-1-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropan-2-amine
CID 59439351
3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-1-ol
CID 66009891
2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755803
3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropanamide
CID 70410872
2-amino-5-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxypentanoic acid
CID 142014858
1,3-benzothiazol-2-ylsulfanylmethanethiol
CID 18616061
[3-(1,3-benzothiazol-2-ylsulfanyl)-2-hydroxypropyl]azanium chloride
CID 67591781
3-(1,3-benzothiazol-2-ylsulfanyl)-2-iodopropanethial
CID 54053495

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine (CID 104755154) is 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine is NC(CSc1nc2ccccc2s1)C1CCOC1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine?
The InChIKey is AZXZVGPSEOOLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS2/c14-10(9-5-6-16-7-9)8-17-13-15-11-3-1-2-4-12(11)18-13/h1-4,9-10H,5-8,14H2.
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine?
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine has a molecular weight of 280.42 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104755154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).