3-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-5-amine

C9H15N3OS — CID 65268150

IUPAC3-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC(C)C2CCCO2)n1
InChIInChI=1S/C9H15N3OS/c1-6(8-4-3-5-13-8)10-9-11-7(2)12-14-9/h6,8H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyLRFVTTJDSXDUIY-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.83
Rot. Bonds3

About 3-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-5-amine

3-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65268150) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 3-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID65268150
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name3-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC(C)C2CCCO2)n1
InChIInChI=1S/C9H15N3OS/c1-6(8-4-3-5-13-8)10-9-11-7(2)12-14-9/h6,8H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyLRFVTTJDSXDUIY-UHFFFAOYSA-N
XLogP1.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-5-amine (CID 65268150) is 3-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-5-amine is Cc1nsc(NC(C)C2CCCO2)n1.
What is the InChIKey of 3-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is LRFVTTJDSXDUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6(8-4-3-5-13-8)10-9-11-7(2)12-14-9/h6,8H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of 3-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-5-amine?
3-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 213.31 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).