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

C8H15N3OS2 — CID 65267890

IUPAC3-(ethylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCCSCc1nsc(NCCOC)n1
InChIInChI=1S/C8H15N3OS2/c1-3-13-6-7-10-8(14-11-7)9-4-5-12-2/h3-6H2,1-2H3,(H,9,10,11)
InChIKeyATOSBELEVURYBZ-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.85
Rot. Bonds7

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

3-(ethylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267890) has the molecular formula C8H15N3OS2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-(ethylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(ethylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65267890
Molecular FormulaC8H15N3OS2
Molecular Weight233.36 g/mol
Exact Mass233.07
IUPAC Name3-(ethylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCCSCc1nsc(NCCOC)n1
InChIInChI=1S/C8H15N3OS2/c1-3-13-6-7-10-8(14-11-7)9-4-5-12-2/h3-6H2,1-2H3,(H,9,10,11)
InChIKeyATOSBELEVURYBZ-UHFFFAOYSA-N
XLogP1.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.85
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-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
CID 65267475
3-(cyclopentylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267941
3-(cyclohexylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65268238
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 83039936
N-propyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
CID 65268414
N-(2-methoxyethyl)-3-(2-phenylethyl)-1,2,4-thiadiazol-5-amine
CID 65267766
N-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65268124
N-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65267650
N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304642
N-(2-methoxyethyl)-3-(trichloromethyl)-1,2,4-thiadiazol-5-amine
CID 165466681
N-(2-methoxyethyl)-3-(3-methoxypentan-3-yl)-1,2,4-thiadiazol-5-amine
CID 116782404
N-[2-(2-chloroethoxy)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65277932

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(ethylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (CID 65267890) is 3-(ethylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(ethylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(ethylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is CCSCc1nsc(NCCOC)n1.
What is the InChIKey of 3-(ethylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ATOSBELEVURYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS2/c1-3-13-6-7-10-8(14-11-7)9-4-5-12-2/h3-6H2,1-2H3,(H,9,10,11).
What are the key properties of 3-(ethylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
3-(ethylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 233.36 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).