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

C9H17N3OS — CID 65274982

IUPACN-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine
SMILESCCCc1nsc(OC(C)CNC)n1
InChIInChI=1S/C9H17N3OS/c1-4-5-8-11-9(14-12-8)13-7(2)6-10-3/h7,10H,4-6H2,1-3H3
InChIKeyLOFJWPHQLMKDRA-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.48
Rot. Bonds6

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

N-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine (PubChem CID 65274982) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is N-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine
PubChem CID65274982
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC NameN-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine
SMILESCCCc1nsc(OC(C)CNC)n1
InChIInChI=1S/C9H17N3OS/c1-4-5-8-11-9(14-12-8)13-7(2)6-10-3/h7,10H,4-6H2,1-3H3
InChIKeyLOFJWPHQLMKDRA-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine?
The IUPAC name of N-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine (CID 65274982) is N-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine.
What is the SMILES notation for N-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine?
The canonical SMILES for N-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine is CCCc1nsc(OC(C)CNC)n1.
What is the InChIKey of N-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine?
The InChIKey is LOFJWPHQLMKDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-4-5-8-11-9(14-12-8)13-7(2)6-10-3/h7,10H,4-6H2,1-3H3.
What are the key properties of N-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine?
N-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine has a molecular weight of 215.32 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine is sourced from PubChem (CID 65274982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).