ethyl 2-[2-(1,3-benzodioxole-5-carbonylamino)-1,3-thiazol-4-yl]acetate

C15H14N2O5S — CID 784187

IUPACethyl 2-[2-(1,3-benzodioxole-5-carbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C15H14N2O5S/c1-2-20-13(18)6-10-7-23-15(16-10)17-14(19)9-3-4-11-12(5-9)22-8-21-11/h3-5,7H,2,6,8H2,1H3,(H,16,17,19)
InChIKeyMZGYPAUSKDEYCZ-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.23
Rot. Bonds5

About ethyl 2-[2-(1,3-benzodioxole-5-carbonylamino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(1,3-benzodioxole-5-carbonylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 784187) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is ethyl 2-[2-(1,3-benzodioxole-5-carbonylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(1,3-benzodioxole-5-carbonylamino)-1,3-thiazol-4-yl]acetate
PubChem CID784187
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Nameethyl 2-[2-(1,3-benzodioxole-5-carbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C15H14N2O5S/c1-2-20-13(18)6-10-7-23-15(16-10)17-14(19)9-3-4-11-12(5-9)22-8-21-11/h3-5,7H,2,6,8H2,1H3,(H,16,17,19)
InChIKeyMZGYPAUSKDEYCZ-UHFFFAOYSA-N
XLogP2.23
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1,3-benzodioxole-5-carbonylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(1,3-benzodioxole-5-carbonylamino)-1,3-thiazol-4-yl]acetate (CID 784187) is ethyl 2-[2-(1,3-benzodioxole-5-carbonylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(1,3-benzodioxole-5-carbonylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(1,3-benzodioxole-5-carbonylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1.
What is the InChIKey of ethyl 2-[2-(1,3-benzodioxole-5-carbonylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is MZGYPAUSKDEYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-2-20-13(18)6-10-7-23-15(16-10)17-14(19)9-3-4-11-12(5-9)22-8-21-11/h3-5,7H,2,6,8H2,1H3,(H,16,17,19).
What are the key properties of ethyl 2-[2-(1,3-benzodioxole-5-carbonylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(1,3-benzodioxole-5-carbonylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 334.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1,3-benzodioxole-5-carbonylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 784187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).