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

C17H15N3O3S — CID 2082654

IUPACethyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc3ccccc3n2)n1
InChIInChI=1S/C17H15N3O3S/c1-2-23-15(21)9-12-10-24-17(18-12)20-16(22)14-8-7-11-5-3-4-6-13(11)19-14/h3-8,10H,2,9H2,1H3,(H,18,20,22)
InChIKeyLZNRODTWLLQUBP-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.05
Rot. Bonds5

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

ethyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 2082654) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is ethyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate
PubChem CID2082654
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Nameethyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc3ccccc3n2)n1
InChIInChI=1S/C17H15N3O3S/c1-2-23-15(21)9-12-10-24-17(18-12)20-16(22)14-8-7-11-5-3-4-6-13(11)19-14/h3-8,10H,2,9H2,1H3,(H,18,20,22)
InChIKeyLZNRODTWLLQUBP-UHFFFAOYSA-N
XLogP3.05
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate (CID 2082654) is ethyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2ccc3ccccc3n2)n1.
What is the InChIKey of ethyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is LZNRODTWLLQUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-2-23-15(21)9-12-10-24-17(18-12)20-16(22)14-8-7-11-5-3-4-6-13(11)19-14/h3-8,10H,2,9H2,1H3,(H,18,20,22).
What are the key properties of ethyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 341.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 2082654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).