ethyl 2-ethoxy-4-phenyl-1,3-thiazole-5-carboxylate

C14H15NO3S — CID 13041827

IUPACethyl 2-ethoxy-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(OCC)nc1-c1ccccc1
InChIInChI=1S/C14H15NO3S/c1-3-17-13(16)12-11(10-8-6-5-7-9-10)15-14(19-12)18-4-2/h5-9H,3-4H2,1-2H3
InChIKeyJJASHTFNGRKQKF-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.39
Rot. Bonds5

About ethyl 2-ethoxy-4-phenyl-1,3-thiazole-5-carboxylate

ethyl 2-ethoxy-4-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 13041827) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is ethyl 2-ethoxy-4-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethoxy-4-phenyl-1,3-thiazole-5-carboxylate
PubChem CID13041827
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Nameethyl 2-ethoxy-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(OCC)nc1-c1ccccc1
InChIInChI=1S/C14H15NO3S/c1-3-17-13(16)12-11(10-8-6-5-7-9-10)15-14(19-12)18-4-2/h5-9H,3-4H2,1-2H3
InChIKeyJJASHTFNGRKQKF-UHFFFAOYSA-N
XLogP3.39
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-methylsulfanyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 13441328
ethyl 2-(2-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxylate
CID 86277528
ethyl 2-(diaminomethylideneamino)-4-phenyl-1,3-thiazole-5-carboxylate;hydrobromide
CID 18322831
ethyl 2-(1-oxidopyridin-1-ium-4-yl)-4-phenyl-1,3-thiazole-5-carboxylate
CID 66854770
ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate
CID 66524921
ethyl 2-methoxy-4-(4-propylphenyl)-1,3-thiazole-5-carboxylate
CID 131867605
ethyl 2-(1-anilinoethyl)-4-phenyl-1,3-thiazole-5-carboxylate
CID 44529079
4-[(5-ethoxycarbonyl-4-phenyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 752797
ethyl 2-[[2-(methylamino)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 120703572
ethyl 2-[13-(5-ethoxycarbonyl-4-phenyl-1,3-thiazol-2-yl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 146183998
ethyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16566735
ethyl 4-phenyl-2-(3-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxylate
CID 168514563

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-4-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-ethoxy-4-phenyl-1,3-thiazole-5-carboxylate (CID 13041827) is ethyl 2-ethoxy-4-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-ethoxy-4-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-ethoxy-4-phenyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(OCC)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-ethoxy-4-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is JJASHTFNGRKQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-3-17-13(16)12-11(10-8-6-5-7-9-10)15-14(19-12)18-4-2/h5-9H,3-4H2,1-2H3.
What are the key properties of ethyl 2-ethoxy-4-phenyl-1,3-thiazole-5-carboxylate?
ethyl 2-ethoxy-4-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 277.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-4-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 13041827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).