N-ethyl-4-(2-methoxyethylsulfanylmethyl)thiadiazol-5-amine

C8H15N3OS2 — CID 62187539

IUPACN-ethyl-4-(2-methoxyethylsulfanylmethyl)thiadiazol-5-amine
SMILESCCNc1snnc1CSCCOC
InChIInChI=1S/C8H15N3OS2/c1-3-9-8-7(10-11-14-8)6-13-5-4-12-2/h9H,3-6H2,1-2H3
InChIKeyLWXNTWTYWZFNAR-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.85
Rot. Bonds7

About N-ethyl-4-(2-methoxyethylsulfanylmethyl)thiadiazol-5-amine

N-ethyl-4-(2-methoxyethylsulfanylmethyl)thiadiazol-5-amine (PubChem CID 62187539) has the molecular formula C8H15N3OS2 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-ethyl-4-(2-methoxyethylsulfanylmethyl)thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methoxyethylsulfanylmethyl)thiadiazol-5-amine
PubChem CID62187539
Molecular FormulaC8H15N3OS2
Molecular Weight233.36 g/mol
Exact Mass233.07
IUPAC NameN-ethyl-4-(2-methoxyethylsulfanylmethyl)thiadiazol-5-amine
SMILESCCNc1snnc1CSCCOC
InChIInChI=1S/C8H15N3OS2/c1-3-9-8-7(10-11-14-8)6-13-5-4-12-2/h9H,3-6H2,1-2H3
InChIKeyLWXNTWTYWZFNAR-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

4-(cyclohexylsulfanylmethyl)-N-propylthiadiazol-5-amine
CID 55045090
4-(oxan-4-ylsulfanylmethyl)-N-propylthiadiazol-5-amine
CID 55140732
4-(2-methoxyethylsulfanylmethyl)-N-methylthiadiazol-5-amine
CID 62187538
4-(2-methoxyethylsulfanylmethyl)-N-propylthiadiazol-5-amine
CID 62187540
N-methyl-4-(propan-2-ylsulfanylmethyl)thiadiazol-5-amine
CID 62187559
N-ethyl-4-(propan-2-ylsulfanylmethyl)thiadiazol-5-amine
CID 62187560
4-(propan-2-ylsulfanylmethyl)-N-propylthiadiazol-5-amine
CID 62187732
4-(ethylsulfanylmethyl)-N-methylthiadiazol-5-amine
CID 62187844
4-(butylsulfanylmethyl)-N-methylthiadiazol-5-amine
CID 62187901
4-(butylsulfanylmethyl)-N-ethylthiadiazol-5-amine
CID 62187902
N-ethyl-4-(ethylsulfanylmethyl)thiadiazol-5-amine
CID 62188028
4-(ethylsulfanylmethyl)-N-propylthiadiazol-5-amine
CID 62188029

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methoxyethylsulfanylmethyl)thiadiazol-5-amine?
The IUPAC name of N-ethyl-4-(2-methoxyethylsulfanylmethyl)thiadiazol-5-amine (CID 62187539) is N-ethyl-4-(2-methoxyethylsulfanylmethyl)thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-4-(2-methoxyethylsulfanylmethyl)thiadiazol-5-amine?
The canonical SMILES for N-ethyl-4-(2-methoxyethylsulfanylmethyl)thiadiazol-5-amine is CCNc1snnc1CSCCOC.
What is the InChIKey of N-ethyl-4-(2-methoxyethylsulfanylmethyl)thiadiazol-5-amine?
The InChIKey is LWXNTWTYWZFNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS2/c1-3-9-8-7(10-11-14-8)6-13-5-4-12-2/h9H,3-6H2,1-2H3.
What are the key properties of N-ethyl-4-(2-methoxyethylsulfanylmethyl)thiadiazol-5-amine?
N-ethyl-4-(2-methoxyethylsulfanylmethyl)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 N-ethyl-4-(2-methoxyethylsulfanylmethyl)thiadiazol-5-amine is sourced from PubChem (CID 62187539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).