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

C9H13N5OS — CID 65216144

IUPACN-ethyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCNC(CC)c1nnc(-c2csnn2)o1
InChIInChI=1S/C9H13N5OS/c1-3-6(10-4-2)8-12-13-9(15-8)7-5-16-14-11-7/h5-6,10H,3-4H2,1-2H3
InChIKeyZSVXCXKFIQNRNV-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.65
Rot. Bonds5

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

N-ethyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 65216144) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is N-ethyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID65216144
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC NameN-ethyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCNC(CC)c1nnc(-c2csnn2)o1
InChIInChI=1S/C9H13N5OS/c1-3-6(10-4-2)8-12-13-9(15-8)7-5-16-14-11-7/h5-6,10H,3-4H2,1-2H3
InChIKeyZSVXCXKFIQNRNV-UHFFFAOYSA-N
XLogP1.65
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of N-ethyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 65216144) is N-ethyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CCNC(CC)c1nnc(-c2csnn2)o1.
What is the InChIKey of N-ethyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is ZSVXCXKFIQNRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c1-3-6(10-4-2)8-12-13-9(15-8)7-5-16-14-11-7/h5-6,10H,3-4H2,1-2H3.
What are the key properties of N-ethyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
N-ethyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 239.30 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 65216144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).