6-(2-morpholin-4-ylethyl)imidazo[4,5-g][1,3]benzothiazol-2-amine

C14H17N5OS — CID 3041841

IUPAC6-(2-morpholin-4-ylethyl)imidazo[4,5-g][1,3]benzothiazol-2-amine
SMILESNc1nc2ccc3c(ncn3CCN3CCOCC3)c2s1
InChIInChI=1S/C14H17N5OS/c15-14-17-10-1-2-11-12(13(10)21-14)16-9-19(11)4-3-18-5-7-20-8-6-18/h1-2,9H,3-8H2,(H2,15,17)
InChIKeyDIYYYZYZCKUUOL-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.56
Rot. Bonds3

About 6-(2-morpholin-4-ylethyl)imidazo[4,5-g][1,3]benzothiazol-2-amine

6-(2-morpholin-4-ylethyl)imidazo[4,5-g][1,3]benzothiazol-2-amine (PubChem CID 3041841) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 6-(2-morpholin-4-ylethyl)imidazo[4,5-g][1,3]benzothiazol-2-amine.

Molecular Properties

Compound Name6-(2-morpholin-4-ylethyl)imidazo[4,5-g][1,3]benzothiazol-2-amine
PubChem CID3041841
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name6-(2-morpholin-4-ylethyl)imidazo[4,5-g][1,3]benzothiazol-2-amine
SMILESNc1nc2ccc3c(ncn3CCN3CCOCC3)c2s1
InChIInChI=1S/C14H17N5OS/c15-14-17-10-1-2-11-12(13(10)21-14)16-9-19(11)4-3-18-5-7-20-8-6-18/h1-2,9H,3-8H2,(H2,15,17)
InChIKeyDIYYYZYZCKUUOL-UHFFFAOYSA-N
XLogP1.56
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-morpholin-4-ylethyl)imidazo[4,5-g][1,3]benzothiazol-2-amine?
The IUPAC name of 6-(2-morpholin-4-ylethyl)imidazo[4,5-g][1,3]benzothiazol-2-amine (CID 3041841) is 6-(2-morpholin-4-ylethyl)imidazo[4,5-g][1,3]benzothiazol-2-amine.
What is the SMILES notation for 6-(2-morpholin-4-ylethyl)imidazo[4,5-g][1,3]benzothiazol-2-amine?
The canonical SMILES for 6-(2-morpholin-4-ylethyl)imidazo[4,5-g][1,3]benzothiazol-2-amine is Nc1nc2ccc3c(ncn3CCN3CCOCC3)c2s1.
What is the InChIKey of 6-(2-morpholin-4-ylethyl)imidazo[4,5-g][1,3]benzothiazol-2-amine?
The InChIKey is DIYYYZYZCKUUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c15-14-17-10-1-2-11-12(13(10)21-14)16-9-19(11)4-3-18-5-7-20-8-6-18/h1-2,9H,3-8H2,(H2,15,17).
What are the key properties of 6-(2-morpholin-4-ylethyl)imidazo[4,5-g][1,3]benzothiazol-2-amine?
6-(2-morpholin-4-ylethyl)imidazo[4,5-g][1,3]benzothiazol-2-amine has a molecular weight of 303.39 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-morpholin-4-ylethyl)imidazo[4,5-g][1,3]benzothiazol-2-amine is sourced from PubChem (CID 3041841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).