3-[benzyl(ethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one

C15H18N2OS — CID 46232156

IUPAC3-[benzyl(ethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
SMILESCCN(CCC(=O)c1nccs1)Cc1ccccc1
InChIInChI=1S/C15H18N2OS/c1-2-17(12-13-6-4-3-5-7-13)10-8-14(18)15-16-9-11-19-15/h3-7,9,11H,2,8,10,12H2,1H3
InChIKeyVDPBDSSZILLCCO-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.24
Rot. Bonds7

About 3-[benzyl(ethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one

3-[benzyl(ethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one (PubChem CID 46232156) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
PubChem CID46232156
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name3-[benzyl(ethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
SMILESCCN(CCC(=O)c1nccs1)Cc1ccccc1
InChIInChI=1S/C15H18N2OS/c1-2-17(12-13-6-4-3-5-7-13)10-8-14(18)15-16-9-11-19-15/h3-7,9,11H,2,8,10,12H2,1H3
InChIKeyVDPBDSSZILLCCO-UHFFFAOYSA-N
XLogP3.24
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[benzyl(ethyl)amino]-1-(1,3-thiazol-2-yl)propan-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-[benzyl(ethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 3-[benzyl(ethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one (CID 46232156) is 3-[benzyl(ethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 3-[benzyl(ethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 3-[benzyl(ethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one is CCN(CCC(=O)c1nccs1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(ethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
The InChIKey is VDPBDSSZILLCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-2-17(12-13-6-4-3-5-7-13)10-8-14(18)15-16-9-11-19-15/h3-7,9,11H,2,8,10,12H2,1H3.
What are the key properties of 3-[benzyl(ethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
3-[benzyl(ethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one has a molecular weight of 274.39 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 46232156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).