1-(2-bromo-1,3-thiazol-5-yl)cyclopentane-1-carboxylic acid

C9H10BrNO2S — CID 177324098

IUPAC1-(2-bromo-1,3-thiazol-5-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2cnc(Br)s2)CCCC1
InChIInChI=1S/C9H10BrNO2S/c10-8-11-5-6(14-8)9(7(12)13)3-1-2-4-9/h5H,1-4H2,(H,12,13)
InChIKeyULLGRIYBQFBLLA-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.80
Rot. Bonds2

About 1-(2-bromo-1,3-thiazol-5-yl)cyclopentane-1-carboxylic acid

1-(2-bromo-1,3-thiazol-5-yl)cyclopentane-1-carboxylic acid (PubChem CID 177324098) has the molecular formula C9H10BrNO2S and a molecular weight of 276.15 g/mol. Its IUPAC name is 1-(2-bromo-1,3-thiazol-5-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-bromo-1,3-thiazol-5-yl)cyclopentane-1-carboxylic acid
PubChem CID177324098
Molecular FormulaC9H10BrNO2S
Molecular Weight276.15 g/mol
Exact Mass274.96
IUPAC Name1-(2-bromo-1,3-thiazol-5-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2cnc(Br)s2)CCCC1
InChIInChI=1S/C9H10BrNO2S/c10-8-11-5-6(14-8)9(7(12)13)3-1-2-4-9/h5H,1-4H2,(H,12,13)
InChIKeyULLGRIYBQFBLLA-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propan-2-yl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
CID 83703234
1-thieno[3,2-d][1,3]oxazol-5-ylcyclopentane-1-carboxylic acid
CID 82621200
1-(5-bromo-2-pyridinyl)cyclobutane-1-carboxylic acid
CID 67973232
1-(5-bromopyrimidin-4-yl)cyclobutane-1-carboxylic acid
CID 126980275
2-bromo-5-(2-methyloxan-2-yl)-1,3-thiazole
CID 115048963
1-pyrazin-2-ylcyclohexane-1-carboxylic acid
CID 96767473
1-(4-bromo-5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid
CID 84806704
1-(5-methylpyrazin-2-yl)cyclohexane-1-carboxylic acid
CID 96608156
9-oxobicyclo[3.3.1]nonane-1,5-dicarboxylic acid
CID 91401629
1-(1,3-benzothiazol-4-yl)cyclopentane-1-carboxylic acid
CID 117370863
1-(6-bromo-3-pyridinyl)cyclopropane-1-carboxylic acid
CID 71743266
1-(1,3-benzothiazol-7-yl)cyclohexane-1-carboxylic acid
CID 117407875

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-1,3-thiazol-5-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-bromo-1,3-thiazol-5-yl)cyclopentane-1-carboxylic acid (CID 177324098) is 1-(2-bromo-1,3-thiazol-5-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-bromo-1,3-thiazol-5-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-bromo-1,3-thiazol-5-yl)cyclopentane-1-carboxylic acid is O=C(O)C1(c2cnc(Br)s2)CCCC1.
What is the InChIKey of 1-(2-bromo-1,3-thiazol-5-yl)cyclopentane-1-carboxylic acid?
The InChIKey is ULLGRIYBQFBLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2S/c10-8-11-5-6(14-8)9(7(12)13)3-1-2-4-9/h5H,1-4H2,(H,12,13).
What are the key properties of 1-(2-bromo-1,3-thiazol-5-yl)cyclopentane-1-carboxylic acid?
1-(2-bromo-1,3-thiazol-5-yl)cyclopentane-1-carboxylic acid has a molecular weight of 276.15 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-1,3-thiazol-5-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 177324098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).