N-[2-(2-methoxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine

C8H15N3O2S — CID 65268046

IUPACN-[2-(2-methoxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCOCCOCCNc1nc(C)ns1
InChIInChI=1S/C8H15N3O2S/c1-7-10-8(14-11-7)9-3-4-13-6-5-12-2/h3-6H2,1-2H3,(H,9,10,11)
InChIKeyQEURSSMLMZXHDJ-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.92
Rot. Bonds7

About N-[2-(2-methoxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine

N-[2-(2-methoxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65268046) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65268046
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCOCCOCCNc1nc(C)ns1
InChIInChI=1S/C8H15N3O2S/c1-7-10-8(14-11-7)9-3-4-13-6-5-12-2/h3-6H2,1-2H3,(H,9,10,11)
InChIKeyQEURSSMLMZXHDJ-UHFFFAOYSA-N
XLogP0.92
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304642
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65272894
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-methyl-1,2,4-thiadiazol-5-amine
CID 103081419
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-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 103151224
N-ethyl-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazol-5-amine
CID 103476984
N-ethyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine
CID 103476985

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 65268046) is N-[2-(2-methoxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine is COCCOCCNc1nc(C)ns1.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is QEURSSMLMZXHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-7-10-8(14-11-7)9-3-4-13-6-5-12-2/h3-6H2,1-2H3,(H,9,10,11).
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[2-(2-methoxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 217.29 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).