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

C10H14N4OS — CID 63023235

IUPACN-ethyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCNC(CC)c1nnc(-c2cscn2)o1
InChIInChI=1S/C10H14N4OS/c1-3-7(11-4-2)9-13-14-10(15-9)8-5-16-6-12-8/h5-7,11H,3-4H2,1-2H3
InChIKeyZKXWGYSSKXEUBL-UHFFFAOYSA-N
MW238.32 g/mol
LogP2.25
Rot. Bonds5

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

N-ethyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 63023235) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is N-ethyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID63023235
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC NameN-ethyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCNC(CC)c1nnc(-c2cscn2)o1
InChIInChI=1S/C10H14N4OS/c1-3-7(11-4-2)9-13-14-10(15-9)8-5-16-6-12-8/h5-7,11H,3-4H2,1-2H3
InChIKeyZKXWGYSSKXEUBL-UHFFFAOYSA-N
XLogP2.25
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of N-ethyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 63023235) is N-ethyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CCNC(CC)c1nnc(-c2cscn2)o1.
What is the InChIKey of N-ethyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is ZKXWGYSSKXEUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-3-7(11-4-2)9-13-14-10(15-9)8-5-16-6-12-8/h5-7,11H,3-4H2,1-2H3.
What are the key properties of N-ethyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
N-ethyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 238.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 63023235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).