N-methyl-3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine

C11H19N3OS — CID 80596026

IUPACN-methyl-3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCNCCCc1nnc(C2CCCCS2)o1
InChIInChI=1S/C11H19N3OS/c1-12-7-4-6-10-13-14-11(15-10)9-5-2-3-8-16-9/h9,12H,2-8H2,1H3
InChIKeyOLOHKUYFWBSMOL-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.18
Rot. Bonds5

About N-methyl-3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine

N-methyl-3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 80596026) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-methyl-3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID80596026
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-methyl-3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCNCCCc1nnc(C2CCCCS2)o1
InChIInChI=1S/C11H19N3OS/c1-12-7-4-6-10-13-14-11(15-10)9-5-2-3-8-16-9/h9,12H,2-8H2,1H3
InChIKeyOLOHKUYFWBSMOL-UHFFFAOYSA-N
XLogP2.18
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.18
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 N-methyl-3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 80596026) is N-methyl-3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CNCCCc1nnc(C2CCCCS2)o1.
What is the InChIKey of N-methyl-3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is OLOHKUYFWBSMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-12-7-4-6-10-13-14-11(15-10)9-5-2-3-8-16-9/h9,12H,2-8H2,1H3.
What are the key properties of N-methyl-3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
N-methyl-3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 241.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 80596026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).