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

C14H15NO2S — CID 102443157

IUPACethyl 2-ethyl-5-phenyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)sc1-c1ccccc1
InChIInChI=1S/C14H15NO2S/c1-3-11-15-12(14(16)17-4-2)13(18-11)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyBEHWJJTXEWGHNU-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.55
Rot. Bonds4

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

ethyl 2-ethyl-5-phenyl-1,3-thiazole-4-carboxylate (PubChem CID 102443157) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is ethyl 2-ethyl-5-phenyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-5-phenyl-1,3-thiazole-4-carboxylate
PubChem CID102443157
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Nameethyl 2-ethyl-5-phenyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)sc1-c1ccccc1
InChIInChI=1S/C14H15NO2S/c1-3-11-15-12(14(16)17-4-2)13(18-11)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyBEHWJJTXEWGHNU-UHFFFAOYSA-N
XLogP3.55
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate
CID 664327
5-phenyl-1,3-thiazole-4-carboxylic Acid
CID 944813
Ethyl 5-acetyl-2-phenylthiazole-4-carboxylate
CID 2745356
Ethyl 2-(3-fluorophenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate
CID 59226310
Ethyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 7131013
Ethyl 5-ethynyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 168270983
Methyl 5-ethyl-2-phenyl-1,3-thiazole-4-carboxylate
CID 2741273
Methyl 2-amino-5-benzyl-1,3-thiazole-4-carboxylate
CID 49767430
5-(2-Fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylic acid
CID 52124567
Ethyl 2-chloro-4-phenyl-1,3-thiazole-5-carboxylate
CID 13041816
Trisubsituted thiazole, 30
CID 71463495
Methyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate
CID 15832491

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-5-phenyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-ethyl-5-phenyl-1,3-thiazole-4-carboxylate (CID 102443157) is ethyl 2-ethyl-5-phenyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-5-phenyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-ethyl-5-phenyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(CC)sc1-c1ccccc1.
What is the InChIKey of ethyl 2-ethyl-5-phenyl-1,3-thiazole-4-carboxylate?
The InChIKey is BEHWJJTXEWGHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-3-11-15-12(14(16)17-4-2)13(18-11)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3.
What are the key properties of ethyl 2-ethyl-5-phenyl-1,3-thiazole-4-carboxylate?
ethyl 2-ethyl-5-phenyl-1,3-thiazole-4-carboxylate has a molecular weight of 261.35 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-5-phenyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 102443157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).