2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl-(2-methoxyethyl)amino]acetamide

C16H19N3O4S — CID 51108032

IUPAC2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl-(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CC(N)=O)Cc1csc(-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C16H19N3O4S/c1-21-5-4-19(8-15(17)20)7-12-9-24-16(18-12)11-2-3-13-14(6-11)23-10-22-13/h2-3,6,9H,4-5,7-8,10H2,1H3,(H2,17,20)
InChIKeyVNUIUGKQGQQPBP-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.47
Rot. Bonds8

About 2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl-(2-methoxyethyl)amino]acetamide

2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl-(2-methoxyethyl)amino]acetamide (PubChem CID 51108032) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl-(2-methoxyethyl)amino]acetamide.

Molecular Properties

Compound Name2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl-(2-methoxyethyl)amino]acetamide
PubChem CID51108032
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl-(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CC(N)=O)Cc1csc(-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C16H19N3O4S/c1-21-5-4-19(8-15(17)20)7-12-9-24-16(18-12)11-2-3-13-14(6-11)23-10-22-13/h2-3,6,9H,4-5,7-8,10H2,1H3,(H2,17,20)
InChIKeyVNUIUGKQGQQPBP-UHFFFAOYSA-N
XLogP1.47
TPSA86.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetic acid
CID 43327447
N-(1-aminopropan-2-yl)-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 119584696
2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl-(2-phenylethyl)amino]ethanol
CID 86942949
2-(1,3-benzodioxol-5-yl)-4-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylsulfinylmethyl]-1,3-thiazole
CID 167982842
1-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 61280300
2-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-thiazole
CID 116891760
1-(1,3-benzodioxol-5-yl)-2-[bis(2-methoxyethyl)amino]ethanone
CID 60679019
2-[2-acetamidoethyl-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid
CID 122039167
N-(1,3-benzodioxol-5-yl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 7944782
2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119647798
3-[[2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]propanoic acid
CID 119207121
2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride
CID 120826548

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl-(2-methoxyethyl)amino]acetamide?
The IUPAC name of 2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl-(2-methoxyethyl)amino]acetamide (CID 51108032) is 2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl-(2-methoxyethyl)amino]acetamide.
What is the SMILES notation for 2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl-(2-methoxyethyl)amino]acetamide?
The canonical SMILES for 2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl-(2-methoxyethyl)amino]acetamide is COCCN(CC(N)=O)Cc1csc(-c2ccc3c(c2)OCO3)n1.
What is the InChIKey of 2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl-(2-methoxyethyl)amino]acetamide?
The InChIKey is VNUIUGKQGQQPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-21-5-4-19(8-15(17)20)7-12-9-24-16(18-12)11-2-3-13-14(6-11)23-10-22-13/h2-3,6,9H,4-5,7-8,10H2,1H3,(H2,17,20).
What are the key properties of 2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl-(2-methoxyethyl)amino]acetamide?
2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl-(2-methoxyethyl)amino]acetamide has a molecular weight of 349.41 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl-(2-methoxyethyl)amino]acetamide is sourced from PubChem (CID 51108032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).