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

C10H19N3OS — CID 65267882

IUPAC3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(CC(C)(C)C)ns1
InChIInChI=1S/C10H19N3OS/c1-10(2,3)7-8-12-9(15-13-8)11-5-6-14-4/h5-7H2,1-4H3,(H,11,12,13)
InChIKeyAEAROCAYYGOLEN-UHFFFAOYSA-N
MW229.35 g/mol
LogP2.18
Rot. Bonds5

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

3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267882) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65267882
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(CC(C)(C)C)ns1
InChIInChI=1S/C10H19N3OS/c1-10(2,3)7-8-12-9(15-13-8)11-5-6-14-4/h5-7H2,1-4H3,(H,11,12,13)
InChIKeyAEAROCAYYGOLEN-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(4-morpholin-4-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 132380131
N-(2-methoxyethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268347
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-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274037
3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274038
N-(2-methoxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 79964782
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-(4-methoxy-2,2-dimethylbutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105896951
N-[2-(2,2-difluoroethoxy)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 105912909
3-tert-butyl-N-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 113772994

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (CID 65267882) is 3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is COCCNc1nc(CC(C)(C)C)ns1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is AEAROCAYYGOLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-10(2,3)7-8-12-9(15-13-8)11-5-6-14-4/h5-7H2,1-4H3,(H,11,12,13).
What are the key properties of 3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 229.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).