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

C15H16N2O3S — CID 110624728

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(Cc1ccc2c(c1)OCCO2)NCCc1cscn1
InChIInChI=1S/C15H16N2O3S/c18-15(16-4-3-12-9-21-10-17-12)8-11-1-2-13-14(7-11)20-6-5-19-13/h1-2,7,9-10H,3-6,8H2,(H,16,18)
InChIKeyZCBYVBWHWIPRBN-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.82
Rot. Bonds5

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

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 110624728) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID110624728
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(Cc1ccc2c(c1)OCCO2)NCCc1cscn1
InChIInChI=1S/C15H16N2O3S/c18-15(16-4-3-12-9-21-10-17-12)8-11-1-2-13-14(7-11)20-6-5-19-13/h1-2,7,9-10H,3-6,8H2,(H,16,18)
InChIKeyZCBYVBWHWIPRBN-UHFFFAOYSA-N
XLogP1.82
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110305047
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]acetamide
CID 110633665
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-hydroxypropyl)acetamide
CID 92670427
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46649516
2-(5-phenyl-1,2-oxazol-3-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 110313138
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenoxyethyl)acetamide
CID 26903201
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-propan-2-yloxyethyl)acetamide
CID 110610391
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 17494811
N-[2-(4-aminophenyl)ethyl]-2-(1,3-thiazol-4-yl)acetamide
CID 110483325
2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]acetamide
CID 122136652
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiophene-3-carboxamide
CID 18152283
2-(1,3-benzodioxol-5-yl)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 91777318

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide (CID 110624728) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide is O=C(Cc1ccc2c(c1)OCCO2)NCCc1cscn1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is ZCBYVBWHWIPRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c18-15(16-4-3-12-9-21-10-17-12)8-11-1-2-13-14(7-11)20-6-5-19-13/h1-2,7,9-10H,3-6,8H2,(H,16,18).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 304.37 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 110624728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).