N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine

C7H9N5OS — CID 65215756

IUPACN-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(-c2csnn2)o1
InChIInChI=1S/C7H9N5OS/c1-2-8-3-6-10-11-7(13-6)5-4-14-12-9-5/h4,8H,2-3H2,1H3
InChIKeyGHJVKOXWISEOET-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.70
Rot. Bonds4

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

N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (PubChem CID 65215756) has the molecular formula C7H9N5OS and a molecular weight of 211.25 g/mol. Its IUPAC name is N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
PubChem CID65215756
Molecular FormulaC7H9N5OS
Molecular Weight211.25 g/mol
Exact Mass211.05
IUPAC NameN-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(-c2csnn2)o1
InChIInChI=1S/C7H9N5OS/c1-2-8-3-6-10-11-7(13-6)5-4-14-12-9-5/h4,8H,2-3H2,1H3
InChIKeyGHJVKOXWISEOET-UHFFFAOYSA-N
XLogP0.70
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (CID 65215756) is N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is CCNCc1nnc(-c2csnn2)o1.
What is the InChIKey of N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The InChIKey is GHJVKOXWISEOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5OS/c1-2-8-3-6-10-11-7(13-6)5-4-14-12-9-5/h4,8H,2-3H2,1H3.
What are the key properties of N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine has a molecular weight of 211.25 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 65215756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).