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

C10H17N3O2S — CID 133410736

IUPAC1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpyrrolidin-3-ol
SMILESCOCCc1nsc(N2CCC(C)(O)C2)n1
InChIInChI=1S/C10H17N3O2S/c1-10(14)4-5-13(7-10)9-11-8(12-16-9)3-6-15-2/h14H,3-7H2,1-2H3
InChIKeyXVMIHLFRAFARDB-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.69
Rot. Bonds4

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

1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpyrrolidin-3-ol (PubChem CID 133410736) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpyrrolidin-3-ol
PubChem CID133410736
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpyrrolidin-3-ol
SMILESCOCCc1nsc(N2CCC(C)(O)C2)n1
InChIInChI=1S/C10H17N3O2S/c1-10(14)4-5-13(7-10)9-11-8(12-16-9)3-6-15-2/h14H,3-7H2,1-2H3
InChIKeyXVMIHLFRAFARDB-UHFFFAOYSA-N
XLogP0.69
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpyrrolidin-3-ol (CID 133410736) is 1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpyrrolidin-3-ol is COCCc1nsc(N2CCC(C)(O)C2)n1.
What is the InChIKey of 1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpyrrolidin-3-ol?
The InChIKey is XVMIHLFRAFARDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-10(14)4-5-13(7-10)9-11-8(12-16-9)3-6-15-2/h14H,3-7H2,1-2H3.
What are the key properties of 1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpyrrolidin-3-ol?
1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpyrrolidin-3-ol has a molecular weight of 243.33 g/mol, XLogP of 0.69, 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]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 133410736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).