1-(2-methylmorpholin-4-yl)-2-[[5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

C16H24N4O4S3 — CID 24577406

IUPAC1-(2-methylmorpholin-4-yl)-2-[[5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
SMILESCC1CN(C(=O)CSc2nnc(SCC(=O)N3CCOC(C)C3)s2)CCO1
InChIInChI=1S/C16H24N4O4S3/c1-11-7-19(3-5-23-11)13(21)9-25-15-17-18-16(27-15)26-10-14(22)20-4-6-24-12(2)8-20/h11-12H,3-10H2,1-2H3
InChIKeyGZQGUJYUPVVIPV-UHFFFAOYSA-N
MW432.59 g/mol
LogP1.22
Rot. Bonds6

About 1-(2-methylmorpholin-4-yl)-2-[[5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

1-(2-methylmorpholin-4-yl)-2-[[5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone (PubChem CID 24577406) has the molecular formula C16H24N4O4S3 and a molecular weight of 432.59 g/mol. Its IUPAC name is 1-(2-methylmorpholin-4-yl)-2-[[5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2-methylmorpholin-4-yl)-2-[[5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
PubChem CID24577406
Molecular FormulaC16H24N4O4S3
Molecular Weight432.59 g/mol
Exact Mass432.10
IUPAC Name1-(2-methylmorpholin-4-yl)-2-[[5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
SMILESCC1CN(C(=O)CSc2nnc(SCC(=O)N3CCOC(C)C3)s2)CCO1
InChIInChI=1S/C16H24N4O4S3/c1-11-7-19(3-5-23-11)13(21)9-25-15-17-18-16(27-15)26-10-14(22)20-4-6-24-12(2)8-20/h11-12H,3-10H2,1-2H3
InChIKeyGZQGUJYUPVVIPV-UHFFFAOYSA-N
XLogP1.22
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-(2-methylmorpholin-4-yl)-2-[[5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 30009960
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone
CID 43213316
4-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 47134765
2-[(6-amino-3-pyridinyl)sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone
CID 43301826
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone
CID 24577928
1-(2-methylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 46675633
1-(3-methylpiperidin-1-yl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 51258766
2-[3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanyl-5-propyl-1,2,4-triazol-4-yl]acetic acid
CID 42888108
2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone
CID 51293331
2-(3-hydroxybutan-2-ylsulfanyl)-1-(2-methylmorpholin-4-yl)ethanone
CID 103705901
1-[(2R)-2-ethylmorpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 52672736
2-[[5-[4-(diethylamino)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone
CID 55479793

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylmorpholin-4-yl)-2-[[5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone?
The IUPAC name of 1-(2-methylmorpholin-4-yl)-2-[[5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone (CID 24577406) is 1-(2-methylmorpholin-4-yl)-2-[[5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-(2-methylmorpholin-4-yl)-2-[[5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone?
The canonical SMILES for 1-(2-methylmorpholin-4-yl)-2-[[5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone is CC1CN(C(=O)CSc2nnc(SCC(=O)N3CCOC(C)C3)s2)CCO1.
What is the InChIKey of 1-(2-methylmorpholin-4-yl)-2-[[5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone?
The InChIKey is GZQGUJYUPVVIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S3/c1-11-7-19(3-5-23-11)13(21)9-25-15-17-18-16(27-15)26-10-14(22)20-4-6-24-12(2)8-20/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-(2-methylmorpholin-4-yl)-2-[[5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone?
1-(2-methylmorpholin-4-yl)-2-[[5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone has a molecular weight of 432.59 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylmorpholin-4-yl)-2-[[5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone is sourced from PubChem (CID 24577406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).