3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine

C9H17N3OS — CID 65267473

IUPAC3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCCC(C)c1nsc(NCCOC)n1
InChIInChI=1S/C9H17N3OS/c1-4-7(2)8-11-9(14-12-8)10-5-6-13-3/h7H,4-6H2,1-3H3,(H,10,11,12)
InChIKeyVTVWCHAINIRMHG-UHFFFAOYSA-N
MW215.32 g/mol
LogP2.11
Rot. Bonds6

About 3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine

3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267473) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65267473
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCCC(C)c1nsc(NCCOC)n1
InChIInChI=1S/C9H17N3OS/c1-4-7(2)8-11-9(14-12-8)10-5-6-13-3/h7H,4-6H2,1-3H3,(H,10,11,12)
InChIKeyVTVWCHAINIRMHG-UHFFFAOYSA-N
XLogP2.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (CID 65267473) is 3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is CCC(C)c1nsc(NCCOC)n1.
What is the InChIKey of 3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is VTVWCHAINIRMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-4-7(2)8-11-9(14-12-8)10-5-6-13-3/h7H,4-6H2,1-3H3,(H,10,11,12).
What are the key properties of 3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 215.32 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).