ethyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate

C10H9NO2S2 — CID 2743947

IUPACethyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C10H9NO2S2/c1-2-13-10(12)7-6-15-9(11-7)8-4-3-5-14-8/h3-6H,2H2,1H3
InChIKeyWACGLWUSWZXSBF-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.05
Rot. Bonds3

About ethyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate

ethyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate (PubChem CID 2743947) has the molecular formula C10H9NO2S2 and a molecular weight of 239.32 g/mol. Its IUPAC name is ethyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
PubChem CID2743947
Molecular FormulaC10H9NO2S2
Molecular Weight239.32 g/mol
Exact Mass239.01
IUPAC Nameethyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C10H9NO2S2/c1-2-13-10(12)7-6-15-9(11-7)8-4-3-5-14-8/h3-6H,2H2,1H3
InChIKeyWACGLWUSWZXSBF-UHFFFAOYSA-N
XLogP3.05
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Thiophen-2-yl)-1,3-thiazole-4-carboxylic acid
CID 2776317
Ethyl 2-(3-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 2740372
Ethyl 2-(2,4-difluorophenyl)thiazole-4-carboxylate
CID 2737174
Ethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 2763627
Ethyl 2-(2-fluorophenyl)thiazole-4-carboxylate
CID 2995947
Ethyl 2-phenyl-1,3-thiazole-4-carboxylate
CID 10036966
2-(Thiophen-2-yl)-1,3-thiazole-4-carbaldehyde
CID 18411551
Ethyl 2-(4-ethylphenyl)thiazole-4-carboxylate
CID 53407520
Methyl 2-(2-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 70700711
(2-phenyl-1,3-thiazol-4-yl)methyl (E)-3-thiophen-2-ylprop-2-enoate
CID 2362633
2-Phenylthiazole-4-carboxylic acid methyl ester
CID 11183586
2-(O-Tolyl)-thiazole-4-carboxylic acid ethyl ester
CID 53403771

Frequently Asked Questions

What is the IUPAC name of ethyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate (CID 2743947) is ethyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2cccs2)n1.
What is the InChIKey of ethyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate?
The InChIKey is WACGLWUSWZXSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S2/c1-2-13-10(12)7-6-15-9(11-7)8-4-3-5-14-8/h3-6H,2H2,1H3.
What are the key properties of ethyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate?
ethyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate has a molecular weight of 239.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 2743947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).