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

C11H21N3OS — CID 116782320

IUPAC3-(2-ethoxybutan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCCOC(C)(CC)c1nsc(NC(C)C)n1
InChIInChI=1S/C11H21N3OS/c1-6-11(5,15-7-2)9-13-10(16-14-9)12-8(3)4/h8H,6-7H2,1-5H3,(H,12,13,14)
InChIKeyWDFFCIZTFYNRRE-UHFFFAOYSA-N
MW243.38 g/mol
LogP3.02
Rot. Bonds6

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

3-(2-ethoxybutan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 116782320) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 3-(2-ethoxybutan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-ethoxybutan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID116782320
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name3-(2-ethoxybutan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCCOC(C)(CC)c1nsc(NC(C)C)n1
InChIInChI=1S/C11H21N3OS/c1-6-11(5,15-7-2)9-13-10(16-14-9)12-8(3)4/h8H,6-7H2,1-5H3,(H,12,13,14)
InChIKeyWDFFCIZTFYNRRE-UHFFFAOYSA-N
XLogP3.02
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxybutan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-ethoxybutan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 116782320) is 3-(2-ethoxybutan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-ethoxybutan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-ethoxybutan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is CCOC(C)(CC)c1nsc(NC(C)C)n1.
What is the InChIKey of 3-(2-ethoxybutan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is WDFFCIZTFYNRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-6-11(5,15-7-2)9-13-10(16-14-9)12-8(3)4/h8H,6-7H2,1-5H3,(H,12,13,14).
What are the key properties of 3-(2-ethoxybutan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
3-(2-ethoxybutan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 243.38 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxybutan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 116782320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).