3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine

C9H17N3OS — CID 65273338

IUPAC3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine
SMILESCc1nsc(OCCCNC(C)C)n1
InChIInChI=1S/C9H17N3OS/c1-7(2)10-5-4-6-13-9-11-8(3)12-14-9/h7,10H,4-6H2,1-3H3
InChIKeyQZTDBHJCNXWVGR-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.61
Rot. Bonds6

About 3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine

3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine (PubChem CID 65273338) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine
PubChem CID65273338
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine
SMILESCc1nsc(OCCCNC(C)C)n1
InChIInChI=1S/C9H17N3OS/c1-7(2)10-5-4-6-13-9-11-8(3)12-14-9/h7,10H,4-6H2,1-3H3
InChIKeyQZTDBHJCNXWVGR-UHFFFAOYSA-N
XLogP1.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine (CID 65273338) is 3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine is Cc1nsc(OCCCNC(C)C)n1.
What is the InChIKey of 3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine?
The InChIKey is QZTDBHJCNXWVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-7(2)10-5-4-6-13-9-11-8(3)12-14-9/h7,10H,4-6H2,1-3H3.
What are the key properties of 3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine?
3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine has a molecular weight of 215.32 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 65273338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).