1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)butan-1-amine

C13H16N2S2 — CID 55122489

IUPAC1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)butan-1-amine
SMILESCCCC(N)c1nc2c(s1)CCc1sccc1-2
InChIInChI=1S/C13H16N2S2/c1-2-3-9(14)13-15-12-8-6-7-16-10(8)4-5-11(12)17-13/h6-7,9H,2-5,14H2,1H3
InChIKeyUSYQXXMGXUOQIO-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.77
Rot. Bonds3

About 1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)butan-1-amine

1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)butan-1-amine (PubChem CID 55122489) has the molecular formula C13H16N2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)butan-1-amine
PubChem CID55122489
Molecular FormulaC13H16N2S2
Molecular Weight264.42 g/mol
Exact Mass264.08
IUPAC Name1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)butan-1-amine
SMILESCCCC(N)c1nc2c(s1)CCc1sccc1-2
InChIInChI=1S/C13H16N2S2/c1-2-3-9(14)13-15-12-8-6-7-16-10(8)4-5-11(12)17-13/h6-7,9H,2-5,14H2,1H3
InChIKeyUSYQXXMGXUOQIO-UHFFFAOYSA-N
XLogP3.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)butan-1-amine?
The IUPAC name of 1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)butan-1-amine (CID 55122489) is 1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)butan-1-amine.
What is the SMILES notation for 1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)butan-1-amine?
The canonical SMILES for 1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)butan-1-amine is CCCC(N)c1nc2c(s1)CCc1sccc1-2.
What is the InChIKey of 1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)butan-1-amine?
The InChIKey is USYQXXMGXUOQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S2/c1-2-3-9(14)13-15-12-8-6-7-16-10(8)4-5-11(12)17-13/h6-7,9H,2-5,14H2,1H3.
What are the key properties of 1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)butan-1-amine?
1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)butan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)butan-1-amine is sourced from PubChem (CID 55122489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).