5-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole

C10H17N3OS — CID 97329516

IUPAC5-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
SMILESCOCc1nsc(N2[C@H](C)CC[C@@H]2C)n1
InChIInChI=1S/C10H17N3OS/c1-7-4-5-8(2)13(7)10-11-9(6-14-3)12-15-10/h7-8H,4-6H2,1-3H3/t7-,8+
InChIKeyJLPOSRJRZSEDSJ-OCAPTIKFSA-N
MW227.33 g/mol
LogP2.06
Rot. Bonds3

About 5-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole

5-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole (PubChem CID 97329516) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 5-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
PubChem CID97329516
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name5-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
SMILESCOCc1nsc(N2[C@H](C)CC[C@@H]2C)n1
InChIInChI=1S/C10H17N3OS/c1-7-4-5-8(2)13(7)10-11-9(6-14-3)12-15-10/h7-8H,4-6H2,1-3H3/t7-,8+
InChIKeyJLPOSRJRZSEDSJ-OCAPTIKFSA-N
XLogP2.06
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole (CID 97329516) is 5-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole is COCc1nsc(N2[C@H](C)CC[C@@H]2C)n1.
What is the InChIKey of 5-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
The InChIKey is JLPOSRJRZSEDSJ-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7-4-5-8(2)13(7)10-11-9(6-14-3)12-15-10/h7-8H,4-6H2,1-3H3/t7-,8+.
What are the key properties of 5-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
5-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole has a molecular weight of 227.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 97329516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).