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

C9H15N3O2S — CID 165434371

IUPAC1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
SMILESCOCCc1nsc(N2CCC(O)C2)n1
InChIInChI=1S/C9H15N3O2S/c1-14-5-3-8-10-9(15-11-8)12-4-2-7(13)6-12/h7,13H,2-6H2,1H3
InChIKeyJXNTWSDNVHVUBZ-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.30
Rot. Bonds4

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

1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 165434371) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
PubChem CID165434371
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
SMILESCOCCc1nsc(N2CCC(O)C2)n1
InChIInChI=1S/C9H15N3O2S/c1-14-5-3-8-10-9(15-11-8)12-4-2-7(13)6-12/h7,13H,2-6H2,1H3
InChIKeyJXNTWSDNVHVUBZ-UHFFFAOYSA-N
XLogP0.30
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
CID 103718731
1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-N-methylpiperidine-3-carboxamide
CID 166605829
[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-piperidin-1-ylmethanone
CID 172899870
1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-N-methylazetidine-3-carboxamide
CID 171691207
N-[(3R)-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-1-propylcyclopropane-1-carboxamide
CID 154803149
1-(3-propyl-1,2,4-thiadiazol-5-yl)azetidin-3-ol
CID 65275177
3-(2-methoxyethyl)-5-[3-(triazol-2-yl)azetidin-1-yl]-1,2,4-thiadiazole
CID 154575557
1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpyrrolidin-3-ol
CID 133410736
2,3-dihydroindol-1-yl-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone
CID 172901973
N-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993892
2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]phenol
CID 133352118
3-(2-methoxyethyl)-5-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-1,2,4-thiadiazole
CID 126783869

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol (CID 165434371) is 1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol is COCCc1nsc(N2CCC(O)C2)n1.
What is the InChIKey of 1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is JXNTWSDNVHVUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-14-5-3-8-10-9(15-11-8)12-4-2-7(13)6-12/h7,13H,2-6H2,1H3.
What are the key properties of 1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol?
1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 229.30 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 165434371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).