ethyl 2-[2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-4-yl]acetate

C13H20N2O3S — CID 82745640

IUPACethyl 2-[2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N(C)C2CCOC2C)n1
InChIInChI=1S/C13H20N2O3S/c1-4-17-12(16)7-10-8-19-13(14-10)15(3)11-5-6-18-9(11)2/h8-9,11H,4-7H2,1-3H3
InChIKeyYWSCIMHMMUBJMT-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.86
Rot. Bonds5

About ethyl 2-[2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 82745640) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is ethyl 2-[2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID82745640
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Nameethyl 2-[2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N(C)C2CCOC2C)n1
InChIInChI=1S/C13H20N2O3S/c1-4-17-12(16)7-10-8-19-13(14-10)15(3)11-5-6-18-9(11)2/h8-9,11H,4-7H2,1-3H3
InChIKeyYWSCIMHMMUBJMT-UHFFFAOYSA-N
XLogP1.86
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-4-yl]acetate (CID 82745640) is ethyl 2-[2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(N(C)C2CCOC2C)n1.
What is the InChIKey of ethyl 2-[2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is YWSCIMHMMUBJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-17-12(16)7-10-8-19-13(14-10)15(3)11-5-6-18-9(11)2/h8-9,11H,4-7H2,1-3H3.
What are the key properties of ethyl 2-[2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 284.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 82745640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).