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

C9H12N4OS — CID 103749995

IUPAC4-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazol-2-amine
SMILESCCc1csc(NCCc2ncno2)n1
InChIInChI=1S/C9H12N4OS/c1-2-7-5-15-9(13-7)10-4-3-8-11-6-12-14-8/h5-6H,2-4H2,1H3,(H,10,13)
InChIKeyAMSNOJMPDAQLIV-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.74
Rot. Bonds5

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

4-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 103749995) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 4-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID103749995
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name4-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazol-2-amine
SMILESCCc1csc(NCCc2ncno2)n1
InChIInChI=1S/C9H12N4OS/c1-2-7-5-15-9(13-7)10-4-3-8-11-6-12-14-8/h5-6H,2-4H2,1H3,(H,10,13)
InChIKeyAMSNOJMPDAQLIV-UHFFFAOYSA-N
XLogP1.74
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate
CID 106411484
4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-1-ol
CID 106842633
6-chloro-2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 106405623
4-ethyl-N-[2-(1H-pyrazol-5-yl)ethyl]-1,3-thiazol-2-amine
CID 136575144
6-[(4-ethyl-1,3-thiazol-2-yl)amino]hexan-1-ol
CID 103918134
2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 103838479
4-ethyl-N-[(E)-pent-3-enyl]-1,3-thiazol-2-amine
CID 115691846
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-ethyl-1,3-thiazol-2-amine
CID 62962812
5-ethyl-1,2,4-oxadiazole
CID 19928681
2-[(4-ethyl-1,3-thiazol-2-yl)amino]acetic acid
CID 62960794
N',N'-diethyl-N-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 62963177
6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 106405558

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazol-2-amine (CID 103749995) is 4-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazol-2-amine is CCc1csc(NCCc2ncno2)n1.
What is the InChIKey of 4-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is AMSNOJMPDAQLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-2-7-5-15-9(13-7)10-4-3-8-11-6-12-14-8/h5-6H,2-4H2,1H3,(H,10,13).
What are the key properties of 4-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazol-2-amine?
4-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 224.29 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 103749995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).