3-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine

C14H23N5OS — CID 65207376

IUPAC3-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1nnc(-c2snnc2C(C)(C)C)o1
InChIInChI=1S/C14H23N5OS/c1-9(2)15-8-6-7-10-16-18-13(20-10)11-12(14(3,4)5)17-19-21-11/h9,15H,6-8H2,1-5H3
InChIKeySLAALASPIBCKNE-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.82
Rot. Bonds6

About 3-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine

3-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 65207376) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is 3-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
PubChem CID65207376
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name3-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1nnc(-c2snnc2C(C)(C)C)o1
InChIInChI=1S/C14H23N5OS/c1-9(2)15-8-6-7-10-16-18-13(20-10)11-12(14(3,4)5)17-19-21-11/h9,15H,6-8H2,1-5H3
InChIKeySLAALASPIBCKNE-UHFFFAOYSA-N
XLogP2.82
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine (CID 65207376) is 3-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine is CC(C)NCCCc1nnc(-c2snnc2C(C)(C)C)o1.
What is the InChIKey of 3-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is SLAALASPIBCKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-9(2)15-8-6-7-10-16-18-13(20-10)11-12(14(3,4)5)17-19-21-11/h9,15H,6-8H2,1-5H3.
What are the key properties of 3-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine?
3-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 309.44 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 65207376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).