1-(1-benzofuran-3-yl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanone

C16H16N2O2S — CID 62050875

IUPAC1-(1-benzofuran-3-yl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanone
SMILESCc1nc(CN(C)CC(=O)c2coc3ccccc23)cs1
InChIInChI=1S/C16H16N2O2S/c1-11-17-12(10-21-11)7-18(2)8-15(19)14-9-20-16-6-4-3-5-13(14)16/h3-6,9-10H,7-8H2,1-2H3
InChIKeyYCXBFYOAOPXVMA-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.51
Rot. Bonds5

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

1-(1-benzofuran-3-yl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanone (PubChem CID 62050875) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanone
PubChem CID62050875
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name1-(1-benzofuran-3-yl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanone
SMILESCc1nc(CN(C)CC(=O)c2coc3ccccc23)cs1
InChIInChI=1S/C16H16N2O2S/c1-11-17-12(10-21-11)7-18(2)8-15(19)14-9-20-16-6-4-3-5-13(14)16/h3-6,9-10H,7-8H2,1-2H3
InChIKeyYCXBFYOAOPXVMA-UHFFFAOYSA-N
XLogP3.51
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-benzofuran-3-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanone
CID 62050511
1-(1-benzofuran-3-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone
CID 54884312
1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one
CID 62044439
1-(3-chlorophenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanone
CID 62050486
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 62051275
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(oxolan-3-yl)ethanone
CID 104750436
N-benzyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-phenylacetamide
CID 86855956
2-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]benzoic acid
CID 104548760
N-[(3-chlorophenyl)methyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 86855976
N-benzyl-N-cyclopropyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 86855941
2-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47442970
N-[(3-fluoro-4-methylphenyl)methyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 86855911

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanone (CID 62050875) is 1-(1-benzofuran-3-yl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanone is Cc1nc(CN(C)CC(=O)c2coc3ccccc23)cs1.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanone?
The InChIKey is YCXBFYOAOPXVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-11-17-12(10-21-11)7-18(2)8-15(19)14-9-20-16-6-4-3-5-13(14)16/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 1-(1-benzofuran-3-yl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanone?
1-(1-benzofuran-3-yl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanone has a molecular weight of 300.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanone is sourced from PubChem (CID 62050875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).