N-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine

C10H13N5OS — CID 65215919

IUPACN-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
SMILESc1snnc1-c1nnc(CCCNC2CC2)o1
InChIInChI=1S/C10H13N5OS/c1(5-11-7-3-4-7)2-9-13-14-10(16-9)8-6-17-15-12-8/h6-7,11H,1-5H2
InChIKeyUIVVMFXJERORFA-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.27
Rot. Bonds6

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

N-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine (PubChem CID 65215919) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is N-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
PubChem CID65215919
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC NameN-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
SMILESc1snnc1-c1nnc(CCCNC2CC2)o1
InChIInChI=1S/C10H13N5OS/c1(5-11-7-3-4-7)2-9-13-14-10(16-9)8-6-17-15-12-8/h6-7,11H,1-5H2
InChIKeyUIVVMFXJERORFA-UHFFFAOYSA-N
XLogP1.27
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.27
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-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine (CID 65215919) is N-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine is c1snnc1-c1nnc(CCCNC2CC2)o1.
What is the InChIKey of N-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The InChIKey is UIVVMFXJERORFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1(5-11-7-3-4-7)2-9-13-14-10(16-9)8-6-17-15-12-8/h6-7,11H,1-5H2.
What are the key properties of N-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
N-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine has a molecular weight of 251.31 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine is sourced from PubChem (CID 65215919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).