3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole

C7H11N3S — CID 14763513

IUPAC3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole
SMILESCc1nsc(C2CCNC2)n1
InChIInChI=1S/C7H11N3S/c1-5-9-7(11-10-5)6-2-3-8-4-6/h6,8H,2-4H2,1H3
InChIKeyNQTDVDWECOFXAT-UHFFFAOYSA-N
MW169.25 g/mol
LogP0.92
Rot. Bonds1

About 3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole

3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole (PubChem CID 14763513) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole
PubChem CID14763513
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole
SMILESCc1nsc(C2CCNC2)n1
InChIInChI=1S/C7H11N3S/c1-5-9-7(11-10-5)6-2-3-8-4-6/h6,8H,2-4H2,1H3
InChIKeyNQTDVDWECOFXAT-UHFFFAOYSA-N
XLogP0.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole (CID 14763513) is 3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole is Cc1nsc(C2CCNC2)n1.
What is the InChIKey of 3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole?
The InChIKey is NQTDVDWECOFXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-5-9-7(11-10-5)6-2-3-8-4-6/h6,8H,2-4H2,1H3.
What are the key properties of 3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole?
3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole has a molecular weight of 169.25 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole is sourced from PubChem (CID 14763513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).