5-(4-bromo-5-methylthiophen-2-yl)-2-ethyl-1,3-thiazole-4-carboxylic acid

C11H10BrNO2S2 — CID 106510698

IUPAC5-(4-bromo-5-methylthiophen-2-yl)-2-ethyl-1,3-thiazole-4-carboxylic acid
SMILESCCc1nc(C(=O)O)c(-c2cc(Br)c(C)s2)s1
InChIInChI=1S/C11H10BrNO2S2/c1-3-8-13-9(11(14)15)10(17-8)7-4-6(12)5(2)16-7/h4H,3H2,1-2H3,(H,14,15)
InChIKeySYGRPJZMEJPSBS-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.20
Rot. Bonds3

About 5-(4-bromo-5-methylthiophen-2-yl)-2-ethyl-1,3-thiazole-4-carboxylic acid

5-(4-bromo-5-methylthiophen-2-yl)-2-ethyl-1,3-thiazole-4-carboxylic acid (PubChem CID 106510698) has the molecular formula C11H10BrNO2S2 and a molecular weight of 332.24 g/mol. Its IUPAC name is 5-(4-bromo-5-methylthiophen-2-yl)-2-ethyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-bromo-5-methylthiophen-2-yl)-2-ethyl-1,3-thiazole-4-carboxylic acid
PubChem CID106510698
Molecular FormulaC11H10BrNO2S2
Molecular Weight332.24 g/mol
Exact Mass330.93
IUPAC Name5-(4-bromo-5-methylthiophen-2-yl)-2-ethyl-1,3-thiazole-4-carboxylic acid
SMILESCCc1nc(C(=O)O)c(-c2cc(Br)c(C)s2)s1
InChIInChI=1S/C11H10BrNO2S2/c1-3-8-13-9(11(14)15)10(17-8)7-4-6(12)5(2)16-7/h4H,3H2,1-2H3,(H,14,15)
InChIKeySYGRPJZMEJPSBS-UHFFFAOYSA-N
XLogP4.20
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-5-methylthiophen-2-yl)-2-ethyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(4-bromo-5-methylthiophen-2-yl)-2-ethyl-1,3-thiazole-4-carboxylic acid (CID 106510698) is 5-(4-bromo-5-methylthiophen-2-yl)-2-ethyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-bromo-5-methylthiophen-2-yl)-2-ethyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(4-bromo-5-methylthiophen-2-yl)-2-ethyl-1,3-thiazole-4-carboxylic acid is CCc1nc(C(=O)O)c(-c2cc(Br)c(C)s2)s1.
What is the InChIKey of 5-(4-bromo-5-methylthiophen-2-yl)-2-ethyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is SYGRPJZMEJPSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2S2/c1-3-8-13-9(11(14)15)10(17-8)7-4-6(12)5(2)16-7/h4H,3H2,1-2H3,(H,14,15).
What are the key properties of 5-(4-bromo-5-methylthiophen-2-yl)-2-ethyl-1,3-thiazole-4-carboxylic acid?
5-(4-bromo-5-methylthiophen-2-yl)-2-ethyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 332.24 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-5-methylthiophen-2-yl)-2-ethyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106510698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).