2-ethoxy-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine

C8H15N3OS3 — CID 115383219

IUPAC2-ethoxy-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
SMILESCCOC(CN)CSc1nnc(SC)s1
InChIInChI=1S/C8H15N3OS3/c1-3-12-6(4-9)5-14-8-11-10-7(13-2)15-8/h6H,3-5,9H2,1-2H3
InChIKeyGMAMOLHARVOFFP-UHFFFAOYSA-N
MW265.43 g/mol
LogP1.72
Rot. Bonds7

About 2-ethoxy-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine

2-ethoxy-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine (PubChem CID 115383219) has the molecular formula C8H15N3OS3 and a molecular weight of 265.43 g/mol. Its IUPAC name is 2-ethoxy-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
PubChem CID115383219
Molecular FormulaC8H15N3OS3
Molecular Weight265.43 g/mol
Exact Mass265.04
IUPAC Name2-ethoxy-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
SMILESCCOC(CN)CSc1nnc(SC)s1
InChIInChI=1S/C8H15N3OS3/c1-3-12-6(4-9)5-14-8-11-10-7(13-2)15-8/h6H,3-5,9H2,1-2H3
InChIKeyGMAMOLHARVOFFP-UHFFFAOYSA-N
XLogP1.72
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine?
The IUPAC name of 2-ethoxy-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine (CID 115383219) is 2-ethoxy-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine.
What is the SMILES notation for 2-ethoxy-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine?
The canonical SMILES for 2-ethoxy-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine is CCOC(CN)CSc1nnc(SC)s1.
What is the InChIKey of 2-ethoxy-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine?
The InChIKey is GMAMOLHARVOFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS3/c1-3-12-6(4-9)5-14-8-11-10-7(13-2)15-8/h6H,3-5,9H2,1-2H3.
What are the key properties of 2-ethoxy-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine?
2-ethoxy-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine has a molecular weight of 265.43 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine is sourced from PubChem (CID 115383219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).