ethyl 2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate

C14H14N2O4S — CID 12689380

IUPACethyl 2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1nc(-c2ccccc2OC)cs1
InChIInChI=1S/C14H14N2O4S/c1-3-20-13(18)12(17)16-14-15-10(8-21-14)9-6-4-5-7-11(9)19-2/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyHQDFKGFCFQCQSW-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.32
Rot. Bonds4

About ethyl 2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate

ethyl 2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate (PubChem CID 12689380) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is ethyl 2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
PubChem CID12689380
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Nameethyl 2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1nc(-c2ccccc2OC)cs1
InChIInChI=1S/C14H14N2O4S/c1-3-20-13(18)12(17)16-14-15-10(8-21-14)9-6-4-5-7-11(9)19-2/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyHQDFKGFCFQCQSW-UHFFFAOYSA-N
XLogP2.32
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate (CID 12689380) is ethyl 2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate is CCOC(=O)C(=O)Nc1nc(-c2ccccc2OC)cs1.
What is the InChIKey of ethyl 2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
The InChIKey is HQDFKGFCFQCQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-3-20-13(18)12(17)16-14-15-10(8-21-14)9-6-4-5-7-11(9)19-2/h4-8H,3H2,1-2H3,(H,15,16,17).
What are the key properties of ethyl 2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
ethyl 2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate has a molecular weight of 306.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate is sourced from PubChem (CID 12689380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).