3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-morpholin-4-ylpropan-1-one

C15H25N3O2S — CID 71868858

IUPAC3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-morpholin-4-ylpropan-1-one
SMILESCCC(C)(NCCC(=O)N1CCOCC1)c1nc(C)cs1
InChIInChI=1S/C15H25N3O2S/c1-4-15(3,14-17-12(2)11-21-14)16-6-5-13(19)18-7-9-20-10-8-18/h11,16H,4-10H2,1-3H3
InChIKeyRXCDYSZHPUBWLK-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.92
Rot. Bonds6

About 3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-morpholin-4-ylpropan-1-one

3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 71868858) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID71868858
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-morpholin-4-ylpropan-1-one
SMILESCCC(C)(NCCC(=O)N1CCOCC1)c1nc(C)cs1
InChIInChI=1S/C15H25N3O2S/c1-4-15(3,14-17-12(2)11-21-14)16-6-5-13(19)18-7-9-20-10-8-18/h11,16H,4-10H2,1-3H3
InChIKeyRXCDYSZHPUBWLK-UHFFFAOYSA-N
XLogP1.92
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-morpholin-4-ylpropan-1-one 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 3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-morpholin-4-ylpropan-1-one (CID 71868858) is 3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-morpholin-4-ylpropan-1-one is CCC(C)(NCCC(=O)N1CCOCC1)c1nc(C)cs1.
What is the InChIKey of 3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is RXCDYSZHPUBWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-15(3,14-17-12(2)11-21-14)16-6-5-13(19)18-7-9-20-10-8-18/h11,16H,4-10H2,1-3H3.
What are the key properties of 3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-morpholin-4-ylpropan-1-one?
3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 311.45 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 71868858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).