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

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

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Related Compounds

2-[(3R)-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 99586330
2-[(3R)-4-(2-bromoprop-2-enyl)morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 99586170
2-[(3S)-4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 99586317
1-(furan-2-yl)-2-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)morpholin-3-yl]ethanone
CID 91661795
1-(furan-2-yl)-2-[(3S)-4-(5-methyl-1,2-thiazole-3-carbonyl)morpholin-3-yl]ethanone
CID 164633953
N,N-diethyl-3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxamide
CID 75522328
2-[(3R)-4-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 97059723
tert-butyl 3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxylate
CID 104624433
1-(furan-2-yl)-2-[(3S)-4-(4-methylthiophene-3-carbonyl)morpholin-3-yl]ethanone
CID 97244002
N-(2-fluorophenyl)-3-[3-[2-(furan-2-yl)-2-oxoethyl]morpholin-4-yl]propanamide
CID 154750383
2-[4-(5-chloropyridine-2-carbonyl)morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 75389849
1-(furan-2-yl)-2-[(3S)-4-(2-propan-2-yl-1,3-thiazole-5-carbonyl)morpholin-3-yl]ethanone
CID 97244050

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).