ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylate

C12H18N2O3S — CID 142739828

IUPACethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylate
SMILESCCOC(=O)C1SCCN1Cc1c(C)noc1C
InChIInChI=1S/C12H18N2O3S/c1-4-16-12(15)11-14(5-6-18-11)7-10-8(2)13-17-9(10)3/h11H,4-7H2,1-3H3
InChIKeyQMWRBTKEARKNMX-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.73
Rot. Bonds4

About ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylate

ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylate (PubChem CID 142739828) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylate
PubChem CID142739828
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nameethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylate
SMILESCCOC(=O)C1SCCN1Cc1c(C)noc1C
InChIInChI=1S/C12H18N2O3S/c1-4-16-12(15)11-14(5-6-18-11)7-10-8(2)13-17-9(10)3/h11H,4-7H2,1-3H3
InChIKeyQMWRBTKEARKNMX-UHFFFAOYSA-N
XLogP1.73
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylate?
The IUPAC name of ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylate (CID 142739828) is ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylate.
What is the SMILES notation for ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylate?
The canonical SMILES for ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylate is CCOC(=O)C1SCCN1Cc1c(C)noc1C.
What is the InChIKey of ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylate?
The InChIKey is QMWRBTKEARKNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-4-16-12(15)11-14(5-6-18-11)7-10-8(2)13-17-9(10)3/h11H,4-7H2,1-3H3.
What are the key properties of ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylate?
ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylate has a molecular weight of 270.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazolidine-2-carboxylate is sourced from PubChem (CID 142739828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).