methyl 2-bromo-5-(5-ethylfuran-2-yl)-1,3-thiazole-4-carboxylate

C11H10BrNO3S — CID 106510294

IUPACmethyl 2-bromo-5-(5-ethylfuran-2-yl)-1,3-thiazole-4-carboxylate
SMILESCCc1ccc(-c2sc(Br)nc2C(=O)OC)o1
InChIInChI=1S/C11H10BrNO3S/c1-3-6-4-5-7(16-6)9-8(10(14)15-2)13-11(12)17-9/h4-5H,3H2,1-2H3
InChIKeyPGIJRUKOCFLJKU-UHFFFAOYSA-N
MW316.18 g/mol
LogP3.51
Rot. Bonds3

About methyl 2-bromo-5-(5-ethylfuran-2-yl)-1,3-thiazole-4-carboxylate

methyl 2-bromo-5-(5-ethylfuran-2-yl)-1,3-thiazole-4-carboxylate (PubChem CID 106510294) has the molecular formula C11H10BrNO3S and a molecular weight of 316.18 g/mol. Its IUPAC name is methyl 2-bromo-5-(5-ethylfuran-2-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-bromo-5-(5-ethylfuran-2-yl)-1,3-thiazole-4-carboxylate
PubChem CID106510294
Molecular FormulaC11H10BrNO3S
Molecular Weight316.18 g/mol
Exact Mass314.96
IUPAC Namemethyl 2-bromo-5-(5-ethylfuran-2-yl)-1,3-thiazole-4-carboxylate
SMILESCCc1ccc(-c2sc(Br)nc2C(=O)OC)o1
InChIInChI=1S/C11H10BrNO3S/c1-3-6-4-5-7(16-6)9-8(10(14)15-2)13-11(12)17-9/h4-5H,3H2,1-2H3
InChIKeyPGIJRUKOCFLJKU-UHFFFAOYSA-N
XLogP3.51
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-bromo-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 66844651
methyl 3-amino-5-(5-bromofuran-2-yl)-4-ethylthiophene-2-carboxylate
CID 61312977
methyl 2-bromo-5-(4-bromo-5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 106510273
methyl 5-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate
CID 115422266
methyl 2-bromo-5-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 106510283
methyl 5-(1-benzothiophen-3-yl)-2-bromo-1,3-thiazole-4-carboxylate
CID 106510313
3-bromo-5-(5-ethylfuran-2-yl)-1,2,4-thiadiazole
CID 102943280
methyl 5-(furan-2-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 53271156
methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate
CID 74890602
methyl 2-bromo-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 66844262
methyl 5-(3-bromothiophen-2-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 106510688
dimethyl 2-(5-bromofuran-2-yl)-1,3-oxazole-4,5-dicarboxylate
CID 102953719

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-5-(5-ethylfuran-2-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-bromo-5-(5-ethylfuran-2-yl)-1,3-thiazole-4-carboxylate (CID 106510294) is methyl 2-bromo-5-(5-ethylfuran-2-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-bromo-5-(5-ethylfuran-2-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-bromo-5-(5-ethylfuran-2-yl)-1,3-thiazole-4-carboxylate is CCc1ccc(-c2sc(Br)nc2C(=O)OC)o1.
What is the InChIKey of methyl 2-bromo-5-(5-ethylfuran-2-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is PGIJRUKOCFLJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3S/c1-3-6-4-5-7(16-6)9-8(10(14)15-2)13-11(12)17-9/h4-5H,3H2,1-2H3.
What are the key properties of methyl 2-bromo-5-(5-ethylfuran-2-yl)-1,3-thiazole-4-carboxylate?
methyl 2-bromo-5-(5-ethylfuran-2-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 316.18 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-5-(5-ethylfuran-2-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 106510294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).