2-[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine

C7H8N4OS — CID 82670303

IUPAC2-[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESNCCc1nnc(-c2nccs2)o1
InChIInChI=1S/C7H8N4OS/c8-2-1-5-10-11-6(12-5)7-9-3-4-13-7/h3-4H,1-2,8H2
InChIKeyCERFPTHSADHEEW-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.69
Rot. Bonds3

About 2-[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine

2-[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 82670303) has the molecular formula C7H8N4OS and a molecular weight of 196.24 g/mol. Its IUPAC name is 2-[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID82670303
Molecular FormulaC7H8N4OS
Molecular Weight196.24 g/mol
Exact Mass196.04
IUPAC Name2-[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESNCCc1nnc(-c2nccs2)o1
InChIInChI=1S/C7H8N4OS/c8-2-1-5-10-11-6(12-5)7-9-3-4-13-7/h3-4H,1-2,8H2
InChIKeyCERFPTHSADHEEW-UHFFFAOYSA-N
XLogP0.69
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 80746041
2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62071809
2-[5-(1H-1,2,4-triazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 82668695
2-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 79083781
2-[5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 65100446
2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069885
6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 82122083
2-[5-methyl-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 82106393
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 30159568
2-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62071982
2-[5-(2,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 114375433
2-[5-(4-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069536

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 82670303) is 2-[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine is NCCc1nnc(-c2nccs2)o1.
What is the InChIKey of 2-[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is CERFPTHSADHEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c8-2-1-5-10-11-6(12-5)7-9-3-4-13-7/h3-4H,1-2,8H2.
What are the key properties of 2-[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
2-[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 196.24 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 82670303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).