ethyl 2-(acetyloxymethyl)-5-phenyl-1,3-thiazole-4-carboxylate

C15H15NO4S — CID 59291434

IUPACethyl 2-(acetyloxymethyl)-5-phenyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(COC(C)=O)sc1-c1ccccc1
InChIInChI=1S/C15H15NO4S/c1-3-19-15(18)13-14(11-7-5-4-6-8-11)21-12(16-13)9-20-10(2)17/h4-8H,3,9H2,1-2H3
InChIKeyKQTMDPQBGLPSBH-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.05
Rot. Bonds5

About ethyl 2-(acetyloxymethyl)-5-phenyl-1,3-thiazole-4-carboxylate

ethyl 2-(acetyloxymethyl)-5-phenyl-1,3-thiazole-4-carboxylate (PubChem CID 59291434) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is ethyl 2-(acetyloxymethyl)-5-phenyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(acetyloxymethyl)-5-phenyl-1,3-thiazole-4-carboxylate
PubChem CID59291434
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Nameethyl 2-(acetyloxymethyl)-5-phenyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(COC(C)=O)sc1-c1ccccc1
InChIInChI=1S/C15H15NO4S/c1-3-19-15(18)13-14(11-7-5-4-6-8-11)21-12(16-13)9-20-10(2)17/h4-8H,3,9H2,1-2H3
InChIKeyKQTMDPQBGLPSBH-UHFFFAOYSA-N
XLogP3.05
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(2-bromoethyl)-5-phenyl-1,3-thiazole-4-carboxylate
CID 174600643
ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate
CID 11001366
ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 112758002
ethyl 2-formyl-5-phenyl-1,3-thiazole-4-carboxylate
CID 59291290
ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate
CID 66524921
ethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-phenyl-1,3-thiazole-4-carboxylate
CID 59291551
ethyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 133062647
5-phenyl-2-propyl-1,3-thiazole-4-carboxylic acid
CID 64716441
ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110651262
ethyl 2-methyl-5-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 53271415
ethyl 5-(2-bromoethyl)-2-phenyl-1,3-thiazole-4-carboxylate
CID 174699502
ethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(3-phenylpropyl)amino]-5-phenyl-1,3-thiazole-4-carboxylate
CID 143733072

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(acetyloxymethyl)-5-phenyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(acetyloxymethyl)-5-phenyl-1,3-thiazole-4-carboxylate (CID 59291434) is ethyl 2-(acetyloxymethyl)-5-phenyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(acetyloxymethyl)-5-phenyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(acetyloxymethyl)-5-phenyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(COC(C)=O)sc1-c1ccccc1.
What is the InChIKey of ethyl 2-(acetyloxymethyl)-5-phenyl-1,3-thiazole-4-carboxylate?
The InChIKey is KQTMDPQBGLPSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-3-19-15(18)13-14(11-7-5-4-6-8-11)21-12(16-13)9-20-10(2)17/h4-8H,3,9H2,1-2H3.
What are the key properties of ethyl 2-(acetyloxymethyl)-5-phenyl-1,3-thiazole-4-carboxylate?
ethyl 2-(acetyloxymethyl)-5-phenyl-1,3-thiazole-4-carboxylate has a molecular weight of 305.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(acetyloxymethyl)-5-phenyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 59291434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).