N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C17H20N2O3S — CID 60538539

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCCC(NC(=O)Cc1csc(C)n1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H20N2O3S/c1-3-14(19-17(20)9-13-10-23-11(2)18-13)12-4-5-15-16(8-12)22-7-6-21-15/h4-5,8,10,14H,3,6-7,9H2,1-2H3,(H,19,20)
InChIKeyADIMABBDLQIQAK-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.03
Rot. Bonds5

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 60538539) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID60538539
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCCC(NC(=O)Cc1csc(C)n1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H20N2O3S/c1-3-14(19-17(20)9-13-10-23-11(2)18-13)12-4-5-15-16(8-12)22-7-6-21-15/h4-5,8,10,14H,3,6-7,9H2,1-2H3,(H,19,20)
InChIKeyADIMABBDLQIQAK-UHFFFAOYSA-N
XLogP3.03
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide with MolForge

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Related Compounds

N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 8850656
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51205416
2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]amino]-2-oxoacetic acid
CID 99784112
4-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]butanamide
CID 119299788
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-oxo-4-phenylbutanamide
CID 55951268
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 51966629
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 96548679
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 134052797
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 55360928
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9124350
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 18200304
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 18189684

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 60538539) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is CCC(NC(=O)Cc1csc(C)n1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is ADIMABBDLQIQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-3-14(19-17(20)9-13-10-23-11(2)18-13)12-4-5-15-16(8-12)22-7-6-21-15/h4-5,8,10,14H,3,6-7,9H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 332.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 60538539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).