ethyl 2-(3-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate

C10H8BrNO2S2 — CID 2740372

IUPACethyl 2-(3-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2sccc2Br)n1
InChIInChI=1S/C10H8BrNO2S2/c1-2-14-10(13)7-5-16-9(12-7)8-6(11)3-4-15-8/h3-5H,2H2,1H3
InChIKeyFHLHPRATYFGOOC-UHFFFAOYSA-N
MW318.22 g/mol
LogP3.81
Rot. Bonds3

About ethyl 2-(3-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate

ethyl 2-(3-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate (PubChem CID 2740372) has the molecular formula C10H8BrNO2S2 and a molecular weight of 318.22 g/mol. Its IUPAC name is ethyl 2-(3-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate
PubChem CID2740372
Molecular FormulaC10H8BrNO2S2
Molecular Weight318.22 g/mol
Exact Mass316.92
IUPAC Nameethyl 2-(3-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2sccc2Br)n1
InChIInChI=1S/C10H8BrNO2S2/c1-2-14-10(13)7-5-16-9(12-7)8-6(11)3-4-15-8/h3-5H,2H2,1H3
InChIKeyFHLHPRATYFGOOC-UHFFFAOYSA-N
XLogP3.81
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(3-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate (CID 2740372) is ethyl 2-(3-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(3-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(3-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2sccc2Br)n1.
What is the InChIKey of ethyl 2-(3-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is FHLHPRATYFGOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2S2/c1-2-14-10(13)7-5-16-9(12-7)8-6(11)3-4-15-8/h3-5H,2H2,1H3.
What are the key properties of ethyl 2-(3-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate?
ethyl 2-(3-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 318.22 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 2740372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).