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

C7H13N3OS2 — CID 103482649

IUPAC2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanamine
SMILESCc1nnc(SCCOCCN)s1
InChIInChI=1S/C7H13N3OS2/c1-6-9-10-7(13-6)12-5-4-11-3-2-8/h2-5,8H2,1H3
InChIKeyTYUSZHDTLPRVPN-UHFFFAOYSA-N
MW219.33 g/mol
LogP0.91
Rot. Bonds6

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

2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanamine (PubChem CID 103482649) has the molecular formula C7H13N3OS2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanamine
PubChem CID103482649
Molecular FormulaC7H13N3OS2
Molecular Weight219.33 g/mol
Exact Mass219.05
IUPAC Name2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanamine
SMILESCc1nnc(SCCOCCN)s1
InChIInChI=1S/C7H13N3OS2/c1-6-9-10-7(13-6)12-5-4-11-3-2-8/h2-5,8H2,1H3
InChIKeyTYUSZHDTLPRVPN-UHFFFAOYSA-N
XLogP0.91
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 50.91
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 2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanamine?
The IUPAC name of 2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanamine (CID 103482649) is 2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanamine is Cc1nnc(SCCOCCN)s1.
What is the InChIKey of 2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanamine?
The InChIKey is TYUSZHDTLPRVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS2/c1-6-9-10-7(13-6)12-5-4-11-3-2-8/h2-5,8H2,1H3.
What are the key properties of 2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanamine?
2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanamine is sourced from PubChem (CID 103482649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).