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

C13H20N4O3S — CID 155800257

IUPAC[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOCc1nsc(N2CCOC(C(=O)N3CCCC3)C2)n1
InChIInChI=1S/C13H20N4O3S/c1-19-9-11-14-13(21-15-11)17-6-7-20-10(8-17)12(18)16-4-2-3-5-16/h10H,2-9H2,1H3
InChIKeyILOPHLPNPOLAGI-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.51
Rot. Bonds4

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

[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 155800257) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is [4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID155800257
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOCc1nsc(N2CCOC(C(=O)N3CCCC3)C2)n1
InChIInChI=1S/C13H20N4O3S/c1-19-9-11-14-13(21-15-11)17-6-7-20-10(8-17)12(18)16-4-2-3-5-16/h10H,2-9H2,1H3
InChIKeyILOPHLPNPOLAGI-UHFFFAOYSA-N
XLogP0.51
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone (CID 155800257) is [4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone is COCc1nsc(N2CCOC(C(=O)N3CCCC3)C2)n1.
What is the InChIKey of [4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ILOPHLPNPOLAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-19-9-11-14-13(21-15-11)17-6-7-20-10(8-17)12(18)16-4-2-3-5-16/h10H,2-9H2,1H3.
What are the key properties of [4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone?
[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 312.40 g/mol, XLogP of 0.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 155800257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).