1-[4-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]thiophen-2-yl]ethanone

C18H18N2OS2 — CID 46995486

IUPAC1-[4-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(CN(Cc2ccccc2)Cc2nccs2)cs1
InChIInChI=1S/C18H18N2OS2/c1-14(21)17-9-16(13-23-17)11-20(12-18-19-7-8-22-18)10-15-5-3-2-4-6-15/h2-9,13H,10-12H2,1H3
InChIKeyVYIZEZOXOWUZKJ-UHFFFAOYSA-N
MW342.49 g/mol
LogP4.61
Rot. Bonds7

About 1-[4-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]thiophen-2-yl]ethanone

1-[4-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]thiophen-2-yl]ethanone (PubChem CID 46995486) has the molecular formula C18H18N2OS2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 1-[4-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]thiophen-2-yl]ethanone
PubChem CID46995486
Molecular FormulaC18H18N2OS2
Molecular Weight342.49 g/mol
Exact Mass342.09
IUPAC Name1-[4-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(CN(Cc2ccccc2)Cc2nccs2)cs1
InChIInChI=1S/C18H18N2OS2/c1-14(21)17-9-16(13-23-17)11-20(12-18-19-7-8-22-18)10-15-5-3-2-4-6-15/h2-9,13H,10-12H2,1H3
InChIKeyVYIZEZOXOWUZKJ-UHFFFAOYSA-N
XLogP4.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[4-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]thiophen-2-yl]ethanone (CID 46995486) is 1-[4-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[4-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[4-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]thiophen-2-yl]ethanone is CC(=O)c1cc(CN(Cc2ccccc2)Cc2nccs2)cs1.
What is the InChIKey of 1-[4-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]thiophen-2-yl]ethanone?
The InChIKey is VYIZEZOXOWUZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS2/c1-14(21)17-9-16(13-23-17)11-20(12-18-19-7-8-22-18)10-15-5-3-2-4-6-15/h2-9,13H,10-12H2,1H3.
What are the key properties of 1-[4-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]thiophen-2-yl]ethanone?
1-[4-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]thiophen-2-yl]ethanone has a molecular weight of 342.49 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 46995486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).