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

C14H22N4O3S — CID 155800377

IUPAC[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOCCc1nsc(N2CCOC(C(=O)N3CCCC3)C2)n1
InChIInChI=1S/C14H22N4O3S/c1-20-8-4-12-15-14(22-16-12)18-7-9-21-11(10-18)13(19)17-5-2-3-6-17/h11H,2-10H2,1H3
InChIKeyLRROXQJBCBAVTQ-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.55
Rot. Bonds5

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

[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 155800377) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is [4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID155800377
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOCCc1nsc(N2CCOC(C(=O)N3CCCC3)C2)n1
InChIInChI=1S/C14H22N4O3S/c1-20-8-4-12-15-14(22-16-12)18-7-9-21-11(10-18)13(19)17-5-2-3-6-17/h11H,2-10H2,1H3
InChIKeyLRROXQJBCBAVTQ-UHFFFAOYSA-N
XLogP0.55
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone (CID 155800377) is [4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone is COCCc1nsc(N2CCOC(C(=O)N3CCCC3)C2)n1.
What is the InChIKey of [4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LRROXQJBCBAVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-20-8-4-12-15-14(22-16-12)18-7-9-21-11(10-18)13(19)17-5-2-3-6-17/h11H,2-10H2,1H3.
What are the key properties of [4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone?
[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 326.42 g/mol, XLogP of 0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 155800377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).