ethyl 2-(oxan-2-ylamino)-1,3-thiazole-5-carboxylate

C11H16N2O3S — CID 43811197

IUPACethyl 2-(oxan-2-ylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(NC2CCCCO2)s1
InChIInChI=1S/C11H16N2O3S/c1-2-15-10(14)8-7-12-11(17-8)13-9-5-3-4-6-16-9/h7,9H,2-6H2,1H3,(H,12,13)
InChIKeyLIIHRJYTSPPSSX-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.26
Rot. Bonds4

About ethyl 2-(oxan-2-ylamino)-1,3-thiazole-5-carboxylate

ethyl 2-(oxan-2-ylamino)-1,3-thiazole-5-carboxylate (PubChem CID 43811197) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is ethyl 2-(oxan-2-ylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(oxan-2-ylamino)-1,3-thiazole-5-carboxylate
PubChem CID43811197
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Nameethyl 2-(oxan-2-ylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(NC2CCCCO2)s1
InChIInChI=1S/C11H16N2O3S/c1-2-15-10(14)8-7-12-11(17-8)13-9-5-3-4-6-16-9/h7,9H,2-6H2,1H3,(H,12,13)
InChIKeyLIIHRJYTSPPSSX-UHFFFAOYSA-N
XLogP2.26
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(oxan-2-ylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(oxan-2-ylamino)-1,3-thiazole-5-carboxylate (CID 43811197) is ethyl 2-(oxan-2-ylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(oxan-2-ylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(oxan-2-ylamino)-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(NC2CCCCO2)s1.
What is the InChIKey of ethyl 2-(oxan-2-ylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is LIIHRJYTSPPSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-2-15-10(14)8-7-12-11(17-8)13-9-5-3-4-6-16-9/h7,9H,2-6H2,1H3,(H,12,13).
What are the key properties of ethyl 2-(oxan-2-ylamino)-1,3-thiazole-5-carboxylate?
ethyl 2-(oxan-2-ylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 256.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(oxan-2-ylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 43811197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).