2-(3-morpholin-4-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C15H24N4OS — CID 63168513

IUPAC2-(3-morpholin-4-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESNC1CCCc2nc(N3CCC(N4CCOCC4)C3)sc21
InChIInChI=1S/C15H24N4OS/c16-12-2-1-3-13-14(12)21-15(17-13)19-5-4-11(10-19)18-6-8-20-9-7-18/h11-12H,1-10,16H2
InChIKeyUWPLYYDYCWZYIV-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.39
Rot. Bonds2

About 2-(3-morpholin-4-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-(3-morpholin-4-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 63168513) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID63168513
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name2-(3-morpholin-4-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESNC1CCCc2nc(N3CCC(N4CCOCC4)C3)sc21
InChIInChI=1S/C15H24N4OS/c16-12-2-1-3-13-14(12)21-15(17-13)19-5-4-11(10-19)18-6-8-20-9-7-18/h11-12H,1-10,16H2
InChIKeyUWPLYYDYCWZYIV-UHFFFAOYSA-N
XLogP1.39
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-morpholin-4-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(3-morpholin-4-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 63168513) is 2-(3-morpholin-4-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(3-morpholin-4-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(3-morpholin-4-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is NC1CCCc2nc(N3CCC(N4CCOCC4)C3)sc21.
What is the InChIKey of 2-(3-morpholin-4-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is UWPLYYDYCWZYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c16-12-2-1-3-13-14(12)21-15(17-13)19-5-4-11(10-19)18-6-8-20-9-7-18/h11-12H,1-10,16H2.
What are the key properties of 2-(3-morpholin-4-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-(3-morpholin-4-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 308.45 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 63168513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).