ethyl 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carboxylate

C10H8BrNO3S — CID 115280369

IUPACethyl 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2ccc(Br)o2)n1
InChIInChI=1S/C10H8BrNO3S/c1-2-14-10(13)6-5-16-9(12-6)7-3-4-8(11)15-7/h3-5H,2H2,1H3
InChIKeyICRZMWMGSCZRFB-UHFFFAOYSA-N
MW302.15 g/mol
LogP3.34
Rot. Bonds3

About ethyl 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carboxylate

ethyl 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carboxylate (PubChem CID 115280369) has the molecular formula C10H8BrNO3S and a molecular weight of 302.15 g/mol. Its IUPAC name is ethyl 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carboxylate
PubChem CID115280369
Molecular FormulaC10H8BrNO3S
Molecular Weight302.15 g/mol
Exact Mass300.94
IUPAC Nameethyl 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2ccc(Br)o2)n1
InChIInChI=1S/C10H8BrNO3S/c1-2-14-10(13)6-5-16-9(12-6)7-3-4-8(11)15-7/h3-5H,2H2,1H3
InChIKeyICRZMWMGSCZRFB-UHFFFAOYSA-N
XLogP3.34
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxylate
CID 59345227
ethyl 2-(4-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 114905320
ethyl 2-(2-bromo-6-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 114884535
ethyl 2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 114077100
ethyl 2-(3-bromo-4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 115565697
ethyl 5-(5-bromofuran-2-yl)-2-methyl-1,3-oxazole-4-carboxylate
CID 139763006
3-methoxybutyl 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate
CID 71869290
ethyl 2-amino-1,3-thiazole-4-carboxylate;ethyl 2-bromo-1,3-thiazole-4-carboxylate
CID 158338935
ethyl 2-[2-(hydroxymethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 58924938
ethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 78974871
ethyl 2-(6-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylate
CID 104822748
ethyl 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxylate
CID 115422116

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carboxylate (CID 115280369) is ethyl 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2ccc(Br)o2)n1.
What is the InChIKey of ethyl 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is ICRZMWMGSCZRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO3S/c1-2-14-10(13)6-5-16-9(12-6)7-3-4-8(11)15-7/h3-5H,2H2,1H3.
What are the key properties of ethyl 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carboxylate?
ethyl 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 302.15 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115280369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).