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

C9H17N3OS2 — CID 63071661

IUPAC2-ethoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine
SMILESCCOC(CN)CCSc1nnc(C)s1
InChIInChI=1S/C9H17N3OS2/c1-3-13-8(6-10)4-5-14-9-12-11-7(2)15-9/h8H,3-6,10H2,1-2H3
InChIKeyDHJRFELTVCYTST-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.69
Rot. Bonds7

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

2-ethoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine (PubChem CID 63071661) has the molecular formula C9H17N3OS2 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-ethoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine
PubChem CID63071661
Molecular FormulaC9H17N3OS2
Molecular Weight247.39 g/mol
Exact Mass247.08
IUPAC Name2-ethoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine
SMILESCCOC(CN)CCSc1nnc(C)s1
InChIInChI=1S/C9H17N3OS2/c1-3-13-8(6-10)4-5-14-9-12-11-7(2)15-9/h8H,3-6,10H2,1-2H3
InChIKeyDHJRFELTVCYTST-UHFFFAOYSA-N
XLogP1.69
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine?
The IUPAC name of 2-ethoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine (CID 63071661) is 2-ethoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine.
What is the SMILES notation for 2-ethoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine?
The canonical SMILES for 2-ethoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine is CCOC(CN)CCSc1nnc(C)s1.
What is the InChIKey of 2-ethoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine?
The InChIKey is DHJRFELTVCYTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS2/c1-3-13-8(6-10)4-5-14-9-12-11-7(2)15-9/h8H,3-6,10H2,1-2H3.
What are the key properties of 2-ethoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine?
2-ethoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine is sourced from PubChem (CID 63071661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).