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

C14H16N2OS — CID 46232200

IUPAC3-[benzyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
SMILESCN(CCC(=O)c1nccs1)Cc1ccccc1
InChIInChI=1S/C14H16N2OS/c1-16(11-12-5-3-2-4-6-12)9-7-13(17)14-15-8-10-18-14/h2-6,8,10H,7,9,11H2,1H3
InChIKeyWTFXEQDLJXEOQS-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.85
Rot. Bonds6

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

3-[benzyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one (PubChem CID 46232200) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
PubChem CID46232200
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name3-[benzyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
SMILESCN(CCC(=O)c1nccs1)Cc1ccccc1
InChIInChI=1S/C14H16N2OS/c1-16(11-12-5-3-2-4-6-12)9-7-13(17)14-15-8-10-18-14/h2-6,8,10H,7,9,11H2,1H3
InChIKeyWTFXEQDLJXEOQS-UHFFFAOYSA-N
XLogP2.85
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 3-[benzyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one (CID 46232200) is 3-[benzyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 3-[benzyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 3-[benzyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one is CN(CCC(=O)c1nccs1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
The InChIKey is WTFXEQDLJXEOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-16(11-12-5-3-2-4-6-12)9-7-13(17)14-15-8-10-18-14/h2-6,8,10H,7,9,11H2,1H3.
What are the key properties of 3-[benzyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
3-[benzyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one has a molecular weight of 260.36 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 46232200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).