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

C10H15N5OS — CID 65215868

IUPACN-propan-2-yl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCC(C)NCCCc1nnc(-c2csnn2)o1
InChIInChI=1S/C10H15N5OS/c1-7(2)11-5-3-4-9-13-14-10(16-9)8-6-17-15-12-8/h6-7,11H,3-5H2,1-2H3
InChIKeyJPEGYZKSABUDIW-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.52
Rot. Bonds6

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

N-propan-2-yl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 65215868) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is N-propan-2-yl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID65215868
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC NameN-propan-2-yl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCC(C)NCCCc1nnc(-c2csnn2)o1
InChIInChI=1S/C10H15N5OS/c1-7(2)11-5-3-4-9-13-14-10(16-9)8-6-17-15-12-8/h6-7,11H,3-5H2,1-2H3
InChIKeyJPEGYZKSABUDIW-UHFFFAOYSA-N
XLogP1.52
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.52
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 N-propan-2-yl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of N-propan-2-yl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 65215868) is N-propan-2-yl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-propan-2-yl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-propan-2-yl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CC(C)NCCCc1nnc(-c2csnn2)o1.
What is the InChIKey of N-propan-2-yl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is JPEGYZKSABUDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-7(2)11-5-3-4-9-13-14-10(16-9)8-6-17-15-12-8/h6-7,11H,3-5H2,1-2H3.
What are the key properties of N-propan-2-yl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
N-propan-2-yl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 253.33 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 65215868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).