ethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate

C10H12N4O3S — CID 106411484

IUPACethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NCCc2ncno2)n1
InChIInChI=1S/C10H12N4O3S/c1-2-16-9(15)7-5-18-10(14-7)11-4-3-8-12-6-13-17-8/h5-6H,2-4H2,1H3,(H,11,14)
InChIKeyVRJLGYPJXPGQMJ-UHFFFAOYSA-N
MW268.30 g/mol
LogP1.36
Rot. Bonds6

About ethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate

ethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate (PubChem CID 106411484) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is ethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate
PubChem CID106411484
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Nameethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NCCc2ncno2)n1
InChIInChI=1S/C10H12N4O3S/c1-2-16-9(15)7-5-18-10(14-7)11-4-3-8-12-6-13-17-8/h5-6H,2-4H2,1H3,(H,11,14)
InChIKeyVRJLGYPJXPGQMJ-UHFFFAOYSA-N
XLogP1.36
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazol-2-amine
CID 103749995
ethyl 2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate
CID 80569631
ethyl 2-[[3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-4-carboxylate
CID 80568319
ethyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate
CID 78907467
ethyl 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate
CID 106399552
ethyl 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 106378348
ethyl 4-amino-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzoate
CID 106407389
ethyl 2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-4-carboxylate
CID 106044654
ethyl 2-(4-propan-2-yloxybutylamino)-1,3-thiazole-4-carboxylate
CID 114136482
ethyl 2-[(5-ethylthiophen-2-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 106006503
ethyl 2-[[4-(cyclopropylamino)-4-oxobutyl]amino]-1,3-thiazole-4-carboxylate
CID 80569352
ethyl 2-(pyridin-2-ylmethylamino)-1,3-thiazole-4-carboxylate
CID 80567880

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate (CID 106411484) is ethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NCCc2ncno2)n1.
What is the InChIKey of ethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate?
The InChIKey is VRJLGYPJXPGQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c1-2-16-9(15)7-5-18-10(14-7)11-4-3-8-12-6-13-17-8/h5-6H,2-4H2,1H3,(H,11,14).
What are the key properties of ethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate?
ethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate has a molecular weight of 268.30 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 106411484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).