[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-thiomorpholin-4-ylmethanone

C13H20N4O3S2 — CID 146079472

IUPAC[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
SMILESCOCc1nsc(N2CCOC(C(=O)N3CCSCC3)C2)n1
InChIInChI=1S/C13H20N4O3S2/c1-19-9-11-14-13(22-15-11)17-2-5-20-10(8-17)12(18)16-3-6-21-7-4-16/h10H,2-9H2,1H3
InChIKeyBQEYZJLGSGDBHC-UHFFFAOYSA-N
MW344.46 g/mol
LogP0.47
Rot. Bonds4

About [4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-thiomorpholin-4-ylmethanone

[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-thiomorpholin-4-ylmethanone (PubChem CID 146079472) has the molecular formula C13H20N4O3S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is [4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
PubChem CID146079472
Molecular FormulaC13H20N4O3S2
Molecular Weight344.46 g/mol
Exact Mass344.10
IUPAC Name[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
SMILESCOCc1nsc(N2CCOC(C(=O)N3CCSCC3)C2)n1
InChIInChI=1S/C13H20N4O3S2/c1-19-9-11-14-13(22-15-11)17-2-5-20-10(8-17)12(18)16-3-6-21-7-4-16/h10H,2-9H2,1H3
InChIKeyBQEYZJLGSGDBHC-UHFFFAOYSA-N
XLogP0.47
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-thiomorpholin-4-ylmethanone (CID 146079472) is [4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-thiomorpholin-4-ylmethanone is COCc1nsc(N2CCOC(C(=O)N3CCSCC3)C2)n1.
What is the InChIKey of [4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is BQEYZJLGSGDBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S2/c1-19-9-11-14-13(22-15-11)17-2-5-20-10(8-17)12(18)16-3-6-21-7-4-16/h10H,2-9H2,1H3.
What are the key properties of [4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-thiomorpholin-4-ylmethanone?
[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 344.46 g/mol, XLogP of 0.47, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 146079472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).