3-propan-2-yloxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine

C10H19N3OS2 — CID 62577261

IUPAC3-propan-2-yloxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine
SMILESCC(C)OCCCNCCSc1nncs1
InChIInChI=1S/C10H19N3OS2/c1-9(2)14-6-3-4-11-5-7-15-10-13-12-8-16-10/h8-9,11H,3-7H2,1-2H3
InChIKeyYDRNPPOSBKBABW-UHFFFAOYSA-N
MW261.42 g/mol
LogP2.03
Rot. Bonds9

About 3-propan-2-yloxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine

3-propan-2-yloxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine (PubChem CID 62577261) has the molecular formula C10H19N3OS2 and a molecular weight of 261.42 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-propan-2-yloxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine
PubChem CID62577261
Molecular FormulaC10H19N3OS2
Molecular Weight261.42 g/mol
Exact Mass261.10
IUPAC Name3-propan-2-yloxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine
SMILESCC(C)OCCCNCCSc1nncs1
InChIInChI=1S/C10H19N3OS2/c1-9(2)14-6-3-4-11-5-7-15-10-13-12-8-16-10/h8-9,11H,3-7H2,1-2H3
InChIKeyYDRNPPOSBKBABW-UHFFFAOYSA-N
XLogP2.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.42
LogP ≤ 52.03
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 3-propan-2-yloxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine?
The IUPAC name of 3-propan-2-yloxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine (CID 62577261) is 3-propan-2-yloxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-propan-2-yloxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine?
The canonical SMILES for 3-propan-2-yloxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine is CC(C)OCCCNCCSc1nncs1.
What is the InChIKey of 3-propan-2-yloxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine?
The InChIKey is YDRNPPOSBKBABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS2/c1-9(2)14-6-3-4-11-5-7-15-10-13-12-8-16-10/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 3-propan-2-yloxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine?
3-propan-2-yloxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine has a molecular weight of 261.42 g/mol, XLogP of 2.03, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine is sourced from PubChem (CID 62577261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).