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

C9H17N3OS2 — CID 65267475

IUPACN-(2-methoxyethyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCCSCc1nsc(NCCOC)n1
InChIInChI=1S/C9H17N3OS2/c1-3-6-14-7-8-11-9(15-12-8)10-4-5-13-2/h3-7H2,1-2H3,(H,10,11,12)
InChIKeyVXFLDQUFSLCPEU-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.24
Rot. Bonds8

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

N-(2-methoxyethyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267475) has the molecular formula C9H17N3OS2 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65267475
Molecular FormulaC9H17N3OS2
Molecular Weight247.39 g/mol
Exact Mass247.08
IUPAC NameN-(2-methoxyethyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCCSCc1nsc(NCCOC)n1
InChIInChI=1S/C9H17N3OS2/c1-3-6-14-7-8-11-9(15-12-8)10-4-5-13-2/h3-7H2,1-2H3,(H,10,11,12)
InChIKeyVXFLDQUFSLCPEU-UHFFFAOYSA-N
XLogP2.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.24
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine (CID 65267475) is N-(2-methoxyethyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine is CCCSCc1nsc(NCCOC)n1.
What is the InChIKey of N-(2-methoxyethyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is VXFLDQUFSLCPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS2/c1-3-6-14-7-8-11-9(15-12-8)10-4-5-13-2/h3-7H2,1-2H3,(H,10,11,12).
What are the key properties of N-(2-methoxyethyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
N-(2-methoxyethyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 247.39 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).