ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-1,3-thiazole-4-carboxylate

C15H14N2O5S — CID 4986309

IUPACethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C15H14N2O5S/c1-2-20-14(19)10-8-23-15(16-10)17-13(18)9-3-4-11-12(7-9)22-6-5-21-11/h3-4,7-8H,2,5-6H2,1H3,(H,16,17,18)
InChIKeyKHWDRJIQHOCJAH-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.34
Rot. Bonds4

About ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-1,3-thiazole-4-carboxylate

ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-1,3-thiazole-4-carboxylate (PubChem CID 4986309) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-1,3-thiazole-4-carboxylate
PubChem CID4986309
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Nameethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C15H14N2O5S/c1-2-20-14(19)10-8-23-15(16-10)17-13(18)9-3-4-11-12(7-9)22-6-5-21-11/h3-4,7-8H,2,5-6H2,1H3,(H,16,17,18)
InChIKeyKHWDRJIQHOCJAH-UHFFFAOYSA-N
XLogP2.34
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-1,3-thiazole-4-carboxylate (CID 4986309) is ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2ccc3c(c2)OCCO3)n1.
What is the InChIKey of ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is KHWDRJIQHOCJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-2-20-14(19)10-8-23-15(16-10)17-13(18)9-3-4-11-12(7-9)22-6-5-21-11/h3-4,7-8H,2,5-6H2,1H3,(H,16,17,18).
What are the key properties of ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-1,3-thiazole-4-carboxylate?
ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 334.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 4986309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).