2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone

C15H20N4O3S — CID 86803552

IUPAC2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
SMILESCN(C)c1nc(CN2CCOCC2CC(=O)c2ccco2)ns1
InChIInChI=1S/C15H20N4O3S/c1-18(2)15-16-14(17-23-15)9-19-5-7-21-10-11(19)8-12(20)13-4-3-6-22-13/h3-4,6,11H,5,7-10H2,1-2H3
InChIKeyWHDMDMZBJDNGDU-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.67
Rot. Bonds6

About 2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone

2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone (PubChem CID 86803552) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone.

Molecular Properties

Compound Name2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
PubChem CID86803552
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
SMILESCN(C)c1nc(CN2CCOCC2CC(=O)c2ccco2)ns1
InChIInChI=1S/C15H20N4O3S/c1-18(2)15-16-14(17-23-15)9-19-5-7-21-10-11(19)8-12(20)13-4-3-6-22-13/h3-4,6,11H,5,7-10H2,1-2H3
InChIKeyWHDMDMZBJDNGDU-UHFFFAOYSA-N
XLogP1.67
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone?
The IUPAC name of 2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone (CID 86803552) is 2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone.
What is the SMILES notation for 2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone?
The canonical SMILES for 2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone is CN(C)c1nc(CN2CCOCC2CC(=O)c2ccco2)ns1.
What is the InChIKey of 2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone?
The InChIKey is WHDMDMZBJDNGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-18(2)15-16-14(17-23-15)9-19-5-7-21-10-11(19)8-12(20)13-4-3-6-22-13/h3-4,6,11H,5,7-10H2,1-2H3.
What are the key properties of 2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone?
2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone has a molecular weight of 336.42 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone is sourced from PubChem (CID 86803552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).