ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate

C12H18N2O3S — CID 719123

IUPACethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C(C)(C)C)nc1C
InChIInChI=1S/C12H18N2O3S/c1-6-17-9(15)8-7(2)13-11(18-8)14-10(16)12(3,4)5/h6H2,1-5H3,(H,13,14,16)
InChIKeyXYRUVRMZAKTBDO-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.61
Rot. Bonds3

About ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 719123) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID719123
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nameethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C(C)(C)C)nc1C
InChIInChI=1S/C12H18N2O3S/c1-6-17-9(15)8-7(2)13-11(18-8)14-10(16)12(3,4)5/h6H2,1-5H3,(H,13,14,16)
InChIKeyXYRUVRMZAKTBDO-UHFFFAOYSA-N
XLogP2.61
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate (CID 719123) is ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)C(C)(C)C)nc1C.
What is the InChIKey of ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is XYRUVRMZAKTBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-6-17-9(15)8-7(2)13-11(18-8)14-10(16)12(3,4)5/h6H2,1-5H3,(H,13,14,16).
What are the key properties of ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 270.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 719123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).