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

C10H9NO2S2 — CID 22009789

IUPACethyl 4-thiophen-2-yl-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2cccs2)cs1
InChIInChI=1S/C10H9NO2S2/c1-2-13-10(12)9-11-7(6-15-9)8-4-3-5-14-8/h3-6H,2H2,1H3
InChIKeyLFUQSDQIGQHMJY-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.05
Rot. Bonds3

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

ethyl 4-thiophen-2-yl-1,3-thiazole-2-carboxylate (PubChem CID 22009789) has the molecular formula C10H9NO2S2 and a molecular weight of 239.32 g/mol. Its IUPAC name is ethyl 4-thiophen-2-yl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-thiophen-2-yl-1,3-thiazole-2-carboxylate
PubChem CID22009789
Molecular FormulaC10H9NO2S2
Molecular Weight239.32 g/mol
Exact Mass239.01
IUPAC Nameethyl 4-thiophen-2-yl-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2cccs2)cs1
InChIInChI=1S/C10H9NO2S2/c1-2-13-10(12)9-11-7(6-15-9)8-4-3-5-14-8/h3-6H,2H2,1H3
InChIKeyLFUQSDQIGQHMJY-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

ethyl 4-(3-methylthiophen-2-yl)-1,3-thiazole-2-carboxylate
CID 63992032
ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate
CID 61385398
ethyl 4-(4-hydroxyphenyl)-1,3-thiazole-2-carboxylate
CID 175364490
ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate;hydrobromide
CID 71756591
ethyl 2-bromo-3-hydroxy-6-thiophen-2-ylpyridine-4-carboxylate
CID 87562816
1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one
CID 116966409
ethyl 4-(3,4-dichlorophenyl)-1,3-thiazole-2-carboxylate
CID 46242291
ethyl 3-oxo-3-(4-phenyl-1,3-thiazol-2-yl)propanoate;ethyl 4-phenyl-1,3-thiazole-2-carboxylate
CID 161224499
ethyl 5-(5-thiophen-2-ylthiophen-2-yl)-1,3,4-thiadiazole-2-carboxylate
CID 66647225
2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 9173961
ethyl 4-(3-nitrophenyl)-1,3-thiazole-2-carboxylate
CID 10423662
ethyl 5-methyl-2-thiophen-2-yl-1H-imidazole-4-carboxylate
CID 70858476

Frequently Asked Questions

What is the IUPAC name of ethyl 4-thiophen-2-yl-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-thiophen-2-yl-1,3-thiazole-2-carboxylate (CID 22009789) is ethyl 4-thiophen-2-yl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-thiophen-2-yl-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-thiophen-2-yl-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(-c2cccs2)cs1.
What is the InChIKey of ethyl 4-thiophen-2-yl-1,3-thiazole-2-carboxylate?
The InChIKey is LFUQSDQIGQHMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S2/c1-2-13-10(12)9-11-7(6-15-9)8-4-3-5-14-8/h3-6H,2H2,1H3.
What are the key properties of ethyl 4-thiophen-2-yl-1,3-thiazole-2-carboxylate?
ethyl 4-thiophen-2-yl-1,3-thiazole-2-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 4-thiophen-2-yl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 22009789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).