3-propan-2-yloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine

C9H17N3OS — CID 43664078

IUPAC3-propan-2-yloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESCC(C)OCCCNCc1csnn1
InChIInChI=1S/C9H17N3OS/c1-8(2)13-5-3-4-10-6-9-7-14-12-11-9/h7-8,10H,3-6H2,1-2H3
InChIKeyCYXIQEKEKDAZHB-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.44
Rot. Bonds7

About 3-propan-2-yloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine

3-propan-2-yloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine (PubChem CID 43664078) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-propan-2-yloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine
PubChem CID43664078
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name3-propan-2-yloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESCC(C)OCCCNCc1csnn1
InChIInChI=1S/C9H17N3OS/c1-8(2)13-5-3-4-10-6-9-7-14-12-11-9/h7-8,10H,3-6H2,1-2H3
InChIKeyCYXIQEKEKDAZHB-UHFFFAOYSA-N
XLogP1.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.44
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-propan-2-yloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-propan-2-yloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine (CID 43664078) is 3-propan-2-yloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-propan-2-yloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-propan-2-yloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine is CC(C)OCCCNCc1csnn1.
What is the InChIKey of 3-propan-2-yloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The InChIKey is CYXIQEKEKDAZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-8(2)13-5-3-4-10-6-9-7-14-12-11-9/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 3-propan-2-yloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine?
3-propan-2-yloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine has a molecular weight of 215.32 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 43664078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).