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

C9H15N3OS — CID 65268515

IUPACN-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(CC2CCCO2)ns1
InChIInChI=1S/C9H15N3OS/c1-2-10-9-11-8(12-14-9)6-7-4-3-5-13-7/h7H,2-6H2,1H3,(H,10,11,12)
InChIKeyFWNOLBWVKKZOJJ-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.69
Rot. Bonds4

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

N-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268515) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65268515
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(CC2CCCO2)ns1
InChIInChI=1S/C9H15N3OS/c1-2-10-9-11-8(12-14-9)6-7-4-3-5-13-7/h7H,2-6H2,1H3,(H,10,11,12)
InChIKeyFWNOLBWVKKZOJJ-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 65268515) is N-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine is CCNc1nc(CC2CCCO2)ns1.
What is the InChIKey of N-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is FWNOLBWVKKZOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-2-10-9-11-8(12-14-9)6-7-4-3-5-13-7/h7H,2-6H2,1H3,(H,10,11,12).
What are the key properties of N-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
N-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 213.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).