2-[2,3-dihydro-1,4-benzodioxin-5-ylmethyl(ethyl)amino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide

C17H21N3O3S — CID 56787362

IUPAC2-[2,3-dihydro-1,4-benzodioxin-5-ylmethyl(ethyl)amino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCCN(CC(=O)N(C)c1nccs1)Cc1cccc2c1OCCO2
InChIInChI=1S/C17H21N3O3S/c1-3-20(12-15(21)19(2)17-18-7-10-24-17)11-13-5-4-6-14-16(13)23-9-8-22-14/h4-7,10H,3,8-9,11-12H2,1-2H3
InChIKeyIKDPXSAYBGGGEV-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.40
Rot. Bonds6

About 2-[2,3-dihydro-1,4-benzodioxin-5-ylmethyl(ethyl)amino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide

2-[2,3-dihydro-1,4-benzodioxin-5-ylmethyl(ethyl)amino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 56787362) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[2,3-dihydro-1,4-benzodioxin-5-ylmethyl(ethyl)amino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2,3-dihydro-1,4-benzodioxin-5-ylmethyl(ethyl)amino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID56787362
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-[2,3-dihydro-1,4-benzodioxin-5-ylmethyl(ethyl)amino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCCN(CC(=O)N(C)c1nccs1)Cc1cccc2c1OCCO2
InChIInChI=1S/C17H21N3O3S/c1-3-20(12-15(21)19(2)17-18-7-10-24-17)11-13-5-4-6-14-16(13)23-9-8-22-14/h4-7,10H,3,8-9,11-12H2,1-2H3
InChIKeyIKDPXSAYBGGGEV-UHFFFAOYSA-N
XLogP2.40
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1,4-benzodioxin-5-ylmethyl(ethyl)amino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2,3-dihydro-1,4-benzodioxin-5-ylmethyl(ethyl)amino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide (CID 56787362) is 2-[2,3-dihydro-1,4-benzodioxin-5-ylmethyl(ethyl)amino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2,3-dihydro-1,4-benzodioxin-5-ylmethyl(ethyl)amino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2,3-dihydro-1,4-benzodioxin-5-ylmethyl(ethyl)amino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide is CCN(CC(=O)N(C)c1nccs1)Cc1cccc2c1OCCO2.
What is the InChIKey of 2-[2,3-dihydro-1,4-benzodioxin-5-ylmethyl(ethyl)amino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is IKDPXSAYBGGGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-3-20(12-15(21)19(2)17-18-7-10-24-17)11-13-5-4-6-14-16(13)23-9-8-22-14/h4-7,10H,3,8-9,11-12H2,1-2H3.
What are the key properties of 2-[2,3-dihydro-1,4-benzodioxin-5-ylmethyl(ethyl)amino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
2-[2,3-dihydro-1,4-benzodioxin-5-ylmethyl(ethyl)amino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 347.44 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1,4-benzodioxin-5-ylmethyl(ethyl)amino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 56787362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).