ethyl 2-[3-(2-hydroxyethyl)-2-phenylimino-1,3-thiazol-4-yl]acetate

C15H18N2O3S — CID 45148706

IUPACethyl 2-[3-(2-hydroxyethyl)-2-phenylimino-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1cs/c(=N\c2ccccc2)n1CCO
InChIInChI=1S/C15H18N2O3S/c1-2-20-14(19)10-13-11-21-15(17(13)8-9-18)16-12-6-4-3-5-7-12/h3-7,11,18H,2,8-10H2,1H3/b16-15-
InChIKeyRDUGELKMUALVGS-NXVVXOECSA-N
MW306.39 g/mol
LogP1.88
Rot. Bonds6

About ethyl 2-[3-(2-hydroxyethyl)-2-phenylimino-1,3-thiazol-4-yl]acetate

ethyl 2-[3-(2-hydroxyethyl)-2-phenylimino-1,3-thiazol-4-yl]acetate (PubChem CID 45148706) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is ethyl 2-[3-(2-hydroxyethyl)-2-phenylimino-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(2-hydroxyethyl)-2-phenylimino-1,3-thiazol-4-yl]acetate
PubChem CID45148706
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Nameethyl 2-[3-(2-hydroxyethyl)-2-phenylimino-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1cs/c(=N\c2ccccc2)n1CCO
InChIInChI=1S/C15H18N2O3S/c1-2-20-14(19)10-13-11-21-15(17(13)8-9-18)16-12-6-4-3-5-7-12/h3-7,11,18H,2,8-10H2,1H3/b16-15-
InChIKeyRDUGELKMUALVGS-NXVVXOECSA-N
XLogP1.88
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2-hydroxyethyl)-2-phenylimino-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[3-(2-hydroxyethyl)-2-phenylimino-1,3-thiazol-4-yl]acetate (CID 45148706) is ethyl 2-[3-(2-hydroxyethyl)-2-phenylimino-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(2-hydroxyethyl)-2-phenylimino-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[3-(2-hydroxyethyl)-2-phenylimino-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1cs/c(=N\c2ccccc2)n1CCO.
What is the InChIKey of ethyl 2-[3-(2-hydroxyethyl)-2-phenylimino-1,3-thiazol-4-yl]acetate?
The InChIKey is RDUGELKMUALVGS-NXVVXOECSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-2-20-14(19)10-13-11-21-15(17(13)8-9-18)16-12-6-4-3-5-7-12/h3-7,11,18H,2,8-10H2,1H3/b16-15-.
What are the key properties of ethyl 2-[3-(2-hydroxyethyl)-2-phenylimino-1,3-thiazol-4-yl]acetate?
ethyl 2-[3-(2-hydroxyethyl)-2-phenylimino-1,3-thiazol-4-yl]acetate has a molecular weight of 306.39 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-hydroxyethyl)-2-phenylimino-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 45148706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).