3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine

C9H15N3OS — CID 65270906

IUPAC3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC2CCOC2)n1
InChIInChI=1S/C9H15N3OS/c1-2-8-11-9(14-12-8)10-5-7-3-4-13-6-7/h7H,2-6H2,1H3,(H,10,11,12)
InChIKeyGPQOMJIGJFFQBL-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.55
Rot. Bonds4

About 3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine

3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65270906) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65270906
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC2CCOC2)n1
InChIInChI=1S/C9H15N3OS/c1-2-8-11-9(14-12-8)10-5-7-3-4-13-6-7/h7H,2-6H2,1H3,(H,10,11,12)
InChIKeyGPQOMJIGJFFQBL-UHFFFAOYSA-N
XLogP1.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 65270906) is 3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine is CCc1nsc(NCC2CCOC2)n1.
What is the InChIKey of 3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is GPQOMJIGJFFQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-2-8-11-9(14-12-8)10-5-7-3-4-13-6-7/h7H,2-6H2,1H3,(H,10,11,12).
What are the key properties of 3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 213.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65270906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).