5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazol-3-amine

C9H15N3OS — CID 65159399

IUPAC5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazol-3-amine
SMILESCC1OC(C)C(c2nc(N)ns2)C1C
InChIInChI=1S/C9H15N3OS/c1-4-5(2)13-6(3)7(4)8-11-9(10)12-14-8/h4-7H,1-3H3,(H2,10,12)
InChIKeyHPALECBZGWZTHA-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.65
Rot. Bonds1

About 5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazol-3-amine

5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazol-3-amine (PubChem CID 65159399) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazol-3-amine
PubChem CID65159399
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazol-3-amine
SMILESCC1OC(C)C(c2nc(N)ns2)C1C
InChIInChI=1S/C9H15N3OS/c1-4-5(2)13-6(3)7(4)8-11-9(10)12-14-8/h4-7H,1-3H3,(H2,10,12)
InChIKeyHPALECBZGWZTHA-UHFFFAOYSA-N
XLogP1.65
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazol-3-amine (CID 65159399) is 5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazol-3-amine is CC1OC(C)C(c2nc(N)ns2)C1C.
What is the InChIKey of 5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazol-3-amine?
The InChIKey is HPALECBZGWZTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-4-5(2)13-6(3)7(4)8-11-9(10)12-14-8/h4-7H,1-3H3,(H2,10,12).
What are the key properties of 5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazol-3-amine?
5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazol-3-amine has a molecular weight of 213.31 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 65159399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).