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

C13H20N4O3S — CID 165435103

IUPAC[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESCOCc1nsc(N2CCC(C(=O)N3CCOCC3)C2)n1
InChIInChI=1S/C13H20N4O3S/c1-19-9-11-14-13(21-15-11)17-3-2-10(8-17)12(18)16-4-6-20-7-5-16/h10H,2-9H2,1H3
InChIKeyLFZDGDRJBRFXBT-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.37
Rot. Bonds4

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

[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 165435103) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is [1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-morpholin-4-ylmethanone
PubChem CID165435103
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESCOCc1nsc(N2CCC(C(=O)N3CCOCC3)C2)n1
InChIInChI=1S/C13H20N4O3S/c1-19-9-11-14-13(21-15-11)17-3-2-10(8-17)12(18)16-4-6-20-7-5-16/h10H,2-9H2,1H3
InChIKeyLFZDGDRJBRFXBT-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

cyclopropyl-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]methanone
CID 133499006
[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165434746
(4,4-difluoropiperidin-1-yl)-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone
CID 163346041
[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-piperidin-1-ylmethanone
CID 172899870
2,3-dihydroindol-1-yl-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone
CID 172901973
[1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 5211157
1-[4-[1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 3899521
N-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 166600992
cyclopentyl-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133332977
[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165434962
1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
CID 65273603
[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165435628

Frequently Asked Questions

What is the IUPAC name of [1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-morpholin-4-ylmethanone (CID 165435103) is [1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-morpholin-4-ylmethanone is COCc1nsc(N2CCC(C(=O)N3CCOCC3)C2)n1.
What is the InChIKey of [1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is LFZDGDRJBRFXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-19-9-11-14-13(21-15-11)17-3-2-10(8-17)12(18)16-4-6-20-7-5-16/h10H,2-9H2,1H3.
What are the key properties of [1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-morpholin-4-ylmethanone?
[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 312.40 g/mol, XLogP of 0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 165435103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).