N-(3-ethoxypropyl)-3-methyl-1,2,4-thiadiazol-5-amine

C8H15N3OS — CID 65267619

IUPACN-(3-ethoxypropyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCCOCCCNc1nc(C)ns1
InChIInChI=1S/C8H15N3OS/c1-3-12-6-4-5-9-8-10-7(2)11-13-8/h3-6H2,1-2H3,(H,9,10,11)
InChIKeyVCWIPBBNOWBTTR-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.69
Rot. Bonds6

About N-(3-ethoxypropyl)-3-methyl-1,2,4-thiadiazol-5-amine

N-(3-ethoxypropyl)-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65267619) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65267619
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC NameN-(3-ethoxypropyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCCOCCCNc1nc(C)ns1
InChIInChI=1S/C8H15N3OS/c1-3-12-6-4-5-9-8-10-7(2)11-13-8/h3-6H2,1-2H3,(H,9,10,11)
InChIKeyVCWIPBBNOWBTTR-UHFFFAOYSA-N
XLogP1.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-ethoxypropyl)-3-methyl-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 N-(3-ethoxypropyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3-ethoxypropyl)-3-methyl-1,2,4-thiadiazol-5-amine (CID 65267619) is N-(3-ethoxypropyl)-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3-ethoxypropyl)-3-methyl-1,2,4-thiadiazol-5-amine is CCOCCCNc1nc(C)ns1.
What is the InChIKey of N-(3-ethoxypropyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is VCWIPBBNOWBTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-3-12-6-4-5-9-8-10-7(2)11-13-8/h3-6H2,1-2H3,(H,9,10,11).
What are the key properties of N-(3-ethoxypropyl)-3-methyl-1,2,4-thiadiazol-5-amine?
N-(3-ethoxypropyl)-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 201.29 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).