1-[2-[benzyl(methyl)amino]-1,3-thiazol-5-yl]ethanone

C13H14N2OS — CID 57302328

IUPAC1-[2-[benzyl(methyl)amino]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N(C)Cc2ccccc2)s1
InChIInChI=1S/C13H14N2OS/c1-10(16)12-8-14-13(17-12)15(2)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyZFELUYJGNWCUDW-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.98
Rot. Bonds4

About 1-[2-[benzyl(methyl)amino]-1,3-thiazol-5-yl]ethanone

1-[2-[benzyl(methyl)amino]-1,3-thiazol-5-yl]ethanone (PubChem CID 57302328) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-[2-[benzyl(methyl)amino]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[benzyl(methyl)amino]-1,3-thiazol-5-yl]ethanone
PubChem CID57302328
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name1-[2-[benzyl(methyl)amino]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N(C)Cc2ccccc2)s1
InChIInChI=1S/C13H14N2OS/c1-10(16)12-8-14-13(17-12)15(2)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyZFELUYJGNWCUDW-UHFFFAOYSA-N
XLogP2.98
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
CID 55112599
1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]-1,3-thiazol-5-yl]ethanone
CID 62751326
N-benzyl-5-(chloromethyl)-N-methyl-1,3-thiazol-2-amine
CID 130569174
1-[2-[2-(dimethylamino)ethyl-methylamino]-1,3-thiazol-5-yl]ethanone
CID 63727395
N-benzyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62750736
2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 55112267
1-[2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]ethanone
CID 62751470
1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone
CID 62751151
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 62752778
2-[methyl(2-oxopropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 118959240
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
CID 55112363
1-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]ethanone
CID 63965723

Frequently Asked Questions

What is the IUPAC name of 1-[2-[benzyl(methyl)amino]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[benzyl(methyl)amino]-1,3-thiazol-5-yl]ethanone (CID 57302328) is 1-[2-[benzyl(methyl)amino]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[benzyl(methyl)amino]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[benzyl(methyl)amino]-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(N(C)Cc2ccccc2)s1.
What is the InChIKey of 1-[2-[benzyl(methyl)amino]-1,3-thiazol-5-yl]ethanone?
The InChIKey is ZFELUYJGNWCUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-10(16)12-8-14-13(17-12)15(2)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3.
What are the key properties of 1-[2-[benzyl(methyl)amino]-1,3-thiazol-5-yl]ethanone?
1-[2-[benzyl(methyl)amino]-1,3-thiazol-5-yl]ethanone has a molecular weight of 246.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[benzyl(methyl)amino]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 57302328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).