3-(2-ethoxypropan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine

C10H19N3OS — CID 116734330

IUPAC3-(2-ethoxypropan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCCOC(C)(C)c1nsc(NC(C)C)n1
InChIInChI=1S/C10H19N3OS/c1-6-14-10(4,5)8-12-9(15-13-8)11-7(2)3/h7H,6H2,1-5H3,(H,11,12,13)
InChIKeyWNCXKQUUGBLTGF-UHFFFAOYSA-N
MW229.35 g/mol
LogP2.63
Rot. Bonds5

About 3-(2-ethoxypropan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine

3-(2-ethoxypropan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 116734330) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 3-(2-ethoxypropan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-ethoxypropan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID116734330
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name3-(2-ethoxypropan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCCOC(C)(C)c1nsc(NC(C)C)n1
InChIInChI=1S/C10H19N3OS/c1-6-14-10(4,5)8-12-9(15-13-8)11-7(2)3/h7H,6H2,1-5H3,(H,11,12,13)
InChIKeyWNCXKQUUGBLTGF-UHFFFAOYSA-N
XLogP2.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxypropan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-ethoxypropan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 116734330) is 3-(2-ethoxypropan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-ethoxypropan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-ethoxypropan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is CCOC(C)(C)c1nsc(NC(C)C)n1.
What is the InChIKey of 3-(2-ethoxypropan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is WNCXKQUUGBLTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-6-14-10(4,5)8-12-9(15-13-8)11-7(2)3/h7H,6H2,1-5H3,(H,11,12,13).
What are the key properties of 3-(2-ethoxypropan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
3-(2-ethoxypropan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 229.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxypropan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 116734330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).