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

C17H15NO2S2 — CID 142742501

IUPACethyl 5-phenyl-3-(thiophen-2-ylmethyl)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(Cc2cccs2)nsc1-c1ccccc1
InChIInChI=1S/C17H15NO2S2/c1-2-20-17(19)15-14(11-13-9-6-10-21-13)18-22-16(15)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3
InChIKeyBONJZSXQNWMADJ-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.64
Rot. Bonds5

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

ethyl 5-phenyl-3-(thiophen-2-ylmethyl)-1,2-thiazole-4-carboxylate (PubChem CID 142742501) has the molecular formula C17H15NO2S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is ethyl 5-phenyl-3-(thiophen-2-ylmethyl)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-phenyl-3-(thiophen-2-ylmethyl)-1,2-thiazole-4-carboxylate
PubChem CID142742501
Molecular FormulaC17H15NO2S2
Molecular Weight329.45 g/mol
Exact Mass329.05
IUPAC Nameethyl 5-phenyl-3-(thiophen-2-ylmethyl)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(Cc2cccs2)nsc1-c1ccccc1
InChIInChI=1S/C17H15NO2S2/c1-2-20-17(19)15-14(11-13-9-6-10-21-13)18-22-16(15)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3
InChIKeyBONJZSXQNWMADJ-UHFFFAOYSA-N
XLogP4.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-phenyl-3-(thiophen-2-ylmethyl)-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-phenyl-3-(thiophen-2-ylmethyl)-1,2-thiazole-4-carboxylate (CID 142742501) is ethyl 5-phenyl-3-(thiophen-2-ylmethyl)-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-phenyl-3-(thiophen-2-ylmethyl)-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-phenyl-3-(thiophen-2-ylmethyl)-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(Cc2cccs2)nsc1-c1ccccc1.
What is the InChIKey of ethyl 5-phenyl-3-(thiophen-2-ylmethyl)-1,2-thiazole-4-carboxylate?
The InChIKey is BONJZSXQNWMADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S2/c1-2-20-17(19)15-14(11-13-9-6-10-21-13)18-22-16(15)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 5-phenyl-3-(thiophen-2-ylmethyl)-1,2-thiazole-4-carboxylate?
ethyl 5-phenyl-3-(thiophen-2-ylmethyl)-1,2-thiazole-4-carboxylate has a molecular weight of 329.45 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-phenyl-3-(thiophen-2-ylmethyl)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 142742501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).