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

C9H15N3OS — CID 43949481

IUPAC3-propoxy-4-pyrrolidin-1-yl-1,2,5-thiadiazole
SMILESCCCOc1nsnc1N1CCCC1
InChIInChI=1S/C9H15N3OS/c1-2-7-13-9-8(10-14-11-9)12-5-3-4-6-12/h2-7H2,1H3
InChIKeyHKIVZYIDWSDVAI-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.93
Rot. Bonds4

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

3-propoxy-4-pyrrolidin-1-yl-1,2,5-thiadiazole (PubChem CID 43949481) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 3-propoxy-4-pyrrolidin-1-yl-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-propoxy-4-pyrrolidin-1-yl-1,2,5-thiadiazole
PubChem CID43949481
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name3-propoxy-4-pyrrolidin-1-yl-1,2,5-thiadiazole
SMILESCCCOc1nsnc1N1CCCC1
InChIInChI=1S/C9H15N3OS/c1-2-7-13-9-8(10-14-11-9)12-5-3-4-6-12/h2-7H2,1H3
InChIKeyHKIVZYIDWSDVAI-UHFFFAOYSA-N
XLogP1.93
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-propoxy-4-pyrrolidin-1-yl-1,2,5-thiadiazole?
The IUPAC name of 3-propoxy-4-pyrrolidin-1-yl-1,2,5-thiadiazole (CID 43949481) is 3-propoxy-4-pyrrolidin-1-yl-1,2,5-thiadiazole.
What is the SMILES notation for 3-propoxy-4-pyrrolidin-1-yl-1,2,5-thiadiazole?
The canonical SMILES for 3-propoxy-4-pyrrolidin-1-yl-1,2,5-thiadiazole is CCCOc1nsnc1N1CCCC1.
What is the InChIKey of 3-propoxy-4-pyrrolidin-1-yl-1,2,5-thiadiazole?
The InChIKey is HKIVZYIDWSDVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-2-7-13-9-8(10-14-11-9)12-5-3-4-6-12/h2-7H2,1H3.
What are the key properties of 3-propoxy-4-pyrrolidin-1-yl-1,2,5-thiadiazole?
3-propoxy-4-pyrrolidin-1-yl-1,2,5-thiadiazole has a molecular weight of 213.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-4-pyrrolidin-1-yl-1,2,5-thiadiazole is sourced from PubChem (CID 43949481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).