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

C21H22N2O2S — CID 4993132

IUPACethyl 2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]acetate
SMILESCCOC(=O)Cn1c(-c2ccc(CC)cc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C21H22N2O2S/c1-3-16-10-12-17(13-11-16)19-15-26-21(22-18-8-6-5-7-9-18)23(19)14-20(24)25-4-2/h5-13,15H,3-4,14H2,1-2H3/b22-21-
InChIKeyUBCCYZRXZOFIGV-DQRAZIAOSA-N
MW366.49 g/mol
LogP4.57
Rot. Bonds6

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

ethyl 2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]acetate (PubChem CID 4993132) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is ethyl 2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]acetate
PubChem CID4993132
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Nameethyl 2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]acetate
SMILESCCOC(=O)Cn1c(-c2ccc(CC)cc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C21H22N2O2S/c1-3-16-10-12-17(13-11-16)19-15-26-21(22-18-8-6-5-7-9-18)23(19)14-20(24)25-4-2/h5-13,15H,3-4,14H2,1-2H3/b22-21-
InChIKeyUBCCYZRXZOFIGV-DQRAZIAOSA-N
XLogP4.57
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol
CID 4996936
ethyl 2-[4-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-phenylimino-1,3-thiazol-3-yl]acetate;hydrobromide
CID 90484860
N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine
CID 18813249
ethyl 2-[3-(2-hydroxyethyl)-2-phenylimino-1,3-thiazol-4-yl]acetate
CID 45148706
4-[(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)amino]benzoic acid
CID 23762242
4-(4-fluorophenyl)-3-pentyl-N-phenyl-1,3-thiazol-2-imine
CID 3736483
3-hexyl-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-imine
CID 18813168
ethyl 2-[(Z)-(3-benzyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 177469008
3-ethyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
CID 18813132
3-ethyl-N-(3-methylphenyl)-4-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 18552881
3-(2-phenoxyethyl)-N,4-diphenyl-1,3-thiazol-2-imine
CID 44761853
2-hydroxy-5-[3-(2-methoxyethyl)-2-phenylimino-1,3-thiazol-4-yl]benzamide
CID 16555624

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]acetate?
The IUPAC name of ethyl 2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]acetate (CID 4993132) is ethyl 2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]acetate?
The canonical SMILES for ethyl 2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]acetate is CCOC(=O)Cn1c(-c2ccc(CC)cc2)cs/c1=N\c1ccccc1.
What is the InChIKey of ethyl 2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]acetate?
The InChIKey is UBCCYZRXZOFIGV-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-3-16-10-12-17(13-11-16)19-15-26-21(22-18-8-6-5-7-9-18)23(19)14-20(24)25-4-2/h5-13,15H,3-4,14H2,1-2H3/b22-21-.
What are the key properties of ethyl 2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]acetate?
ethyl 2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]acetate has a molecular weight of 366.49 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]acetate is sourced from PubChem (CID 4993132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).