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

C16H20N2OS — CID 46232154

IUPAC3-[benzyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
SMILESCC(C)N(CCC(=O)c1nccs1)Cc1ccccc1
InChIInChI=1S/C16H20N2OS/c1-13(2)18(12-14-6-4-3-5-7-14)10-8-15(19)16-17-9-11-20-16/h3-7,9,11,13H,8,10,12H2,1-2H3
InChIKeyLHKFWHOHWSCYMK-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.63
Rot. Bonds7

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

3-[benzyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one (PubChem CID 46232154) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-[benzyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[benzyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
PubChem CID46232154
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name3-[benzyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
SMILESCC(C)N(CCC(=O)c1nccs1)Cc1ccccc1
InChIInChI=1S/C16H20N2OS/c1-13(2)18(12-14-6-4-3-5-7-14)10-8-15(19)16-17-9-11-20-16/h3-7,9,11,13H,8,10,12H2,1-2H3
InChIKeyLHKFWHOHWSCYMK-UHFFFAOYSA-N
XLogP3.63
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one (CID 46232154) is 3-[benzyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 3-[benzyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 3-[benzyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one is CC(C)N(CCC(=O)c1nccs1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
The InChIKey is LHKFWHOHWSCYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-13(2)18(12-14-6-4-3-5-7-14)10-8-15(19)16-17-9-11-20-16/h3-7,9,11,13H,8,10,12H2,1-2H3.
What are the key properties of 3-[benzyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
3-[benzyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one has a molecular weight of 288.42 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 46232154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).