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

C11H21N3OS — CID 65271490

IUPAC3-tert-butyl-N-(3-ethoxypropyl)-1,2,4-thiadiazol-5-amine
SMILESCCOCCCNC1=NC(=NS1)C(C)(C)C
InChIInChI=1S/C11H21N3OS/c1-5-15-8-6-7-12-10-13-9(14-16-10)11(2,3)4/h5-8H2,1-4H3,(H,12,13,14)
InChIKeyYBURLRKGVAIPJZ-UHFFFAOYSA-N
MW243.37 g/mol
LogP3.40
Rot. Bonds7

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

3-tert-butyl-N-(3-ethoxypropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65271490) has the molecular formula C11H21N3OS and a molecular weight of 243.37 g/mol. Its IUPAC name is 3-tert-butyl-N-(3-ethoxypropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-(3-ethoxypropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65271490
Molecular FormulaC11H21N3OS
Molecular Weight243.37 g/mol
Exact Mass243.14
IUPAC Name3-tert-butyl-N-(3-ethoxypropyl)-1,2,4-thiadiazol-5-amine
SMILESCCOCCCNC1=NC(=NS1)C(C)(C)C
InChIInChI=1S/C11H21N3OS/c1-5-15-8-6-7-12-10-13-9(14-16-10)11(2,3)4/h5-8H2,1-4H3,(H,12,13,14)
InChIKeyYBURLRKGVAIPJZ-UHFFFAOYSA-N
XLogP3.40
TPSA75.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity196

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-tert-butyl-N-(3-ethoxypropyl)-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

Related Compounds

N-[3-(cyclopropylmethoxy)propyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 72112104
3-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65273980
3-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65273982
3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274038
N-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 103081427
N-[2-(2,2-difluoroethoxy)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 103081617
N-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 103151215
3-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-1,2,4-thiadiazol-5-amine
CID 103151216
3-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-1,2,4-thiadiazol-5-amine
CID 103151217
N-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 103151218
3-[2-(2,2-difluoroethoxy)ethyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 103151219
N-(2-methylpropyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 103151222

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(3-ethoxypropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-(3-ethoxypropyl)-1,2,4-thiadiazol-5-amine (CID 65271490) is 3-tert-butyl-N-(3-ethoxypropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-(3-ethoxypropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-(3-ethoxypropyl)-1,2,4-thiadiazol-5-amine is CCOCCCNC1=NC(=NS1)C(C)(C)C.
What is the InChIKey of 3-tert-butyl-N-(3-ethoxypropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is YBURLRKGVAIPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-5-15-8-6-7-12-10-13-9(14-16-10)11(2,3)4/h5-8H2,1-4H3,(H,12,13,14).
What are the key properties of 3-tert-butyl-N-(3-ethoxypropyl)-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-(3-ethoxypropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 243.37 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(3-ethoxypropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).