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

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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).