2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylic acid

C9H10BrNO2S — CID 84714403

IUPAC2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(Br)sc1C1CCCC1
InChIInChI=1S/C9H10BrNO2S/c10-9-11-6(8(12)13)7(14-9)5-3-1-2-4-5/h5H,1-4H2,(H,12,13)
InChIKeyMFQLYHJGDMKTFS-UHFFFAOYSA-N
MW276.15 g/mol
LogP3.26
Rot. Bonds2

About 2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylic acid

2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylic acid (PubChem CID 84714403) has the molecular formula C9H10BrNO2S and a molecular weight of 276.15 g/mol. Its IUPAC name is 2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylic acid
PubChem CID84714403
Molecular FormulaC9H10BrNO2S
Molecular Weight276.15 g/mol
Exact Mass274.96
IUPAC Name2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(Br)sc1C1CCCC1
InChIInChI=1S/C9H10BrNO2S/c10-9-11-6(8(12)13)7(14-9)5-3-1-2-4-5/h5H,1-4H2,(H,12,13)
InChIKeyMFQLYHJGDMKTFS-UHFFFAOYSA-N
XLogP3.26
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylic acid (CID 84714403) is 2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylic acid is O=C(O)c1nc(Br)sc1C1CCCC1.
What is the InChIKey of 2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is MFQLYHJGDMKTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2S/c10-9-11-6(8(12)13)7(14-9)5-3-1-2-4-5/h5H,1-4H2,(H,12,13).
What are the key properties of 2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylic acid?
2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 276.15 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 84714403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).