2-[1-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid

C14H19BrO2S — CID 102828905

IUPAC2-[1-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid
SMILESCc1sc(CCC2(CC(=O)O)CCCC2)cc1Br
InChIInChI=1S/C14H19BrO2S/c1-10-12(15)8-11(18-10)4-7-14(9-13(16)17)5-2-3-6-14/h8H,2-7,9H2,1H3,(H,16,17)
InChIKeyWPOMQKHCRLIXPC-UHFFFAOYSA-N
MW331.28 g/mol
LogP4.79
Rot. Bonds5

About 2-[1-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid

2-[1-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid (PubChem CID 102828905) has the molecular formula C14H19BrO2S and a molecular weight of 331.28 g/mol. Its IUPAC name is 2-[1-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid
PubChem CID102828905
Molecular FormulaC14H19BrO2S
Molecular Weight331.28 g/mol
Exact Mass330.03
IUPAC Name2-[1-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid
SMILESCc1sc(CCC2(CC(=O)O)CCCC2)cc1Br
InChIInChI=1S/C14H19BrO2S/c1-10-12(15)8-11(18-10)4-7-14(9-13(16)17)5-2-3-6-14/h8H,2-7,9H2,1H3,(H,16,17)
InChIKeyWPOMQKHCRLIXPC-UHFFFAOYSA-N
XLogP4.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)ethyl]cyclohexyl]acetic acid
CID 80532221
2-[1-[2-(4-bromo-5-methylthiophen-2-yl)-2-hydroxyethyl]cyclopentyl]acetic acid
CID 102828999
2-[2-(4-bromo-5-methylthiophen-2-yl)ethoxy]acetic acid
CID 102828899
[1-[(4-bromo-5-methylthiophen-2-yl)methylamino]cyclopentyl]methanol
CID 102835457
2-[1-[2-(4,5-dibromothiophen-2-yl)ethyl]cyclohexyl]-N-methylethanamine
CID 80535027
2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 80530829
2-[1-[2-(5-bromo-4-methylthiophen-2-yl)-2-hydroxyethyl]cyclohexyl]acetic acid
CID 79992425
2-[1-[2-amino-2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclohexyl]acetamide
CID 102828933
1-(4-bromo-5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid
CID 84806704
2-[1-[2-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid
CID 61071336
2-[1-[2-(4-fluorophenyl)ethyl]cyclopentyl]acetic acid
CID 61070769
3-[(4-bromo-5-methylthiophen-2-yl)methyl-methylamino]propanoic acid
CID 102845049

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid (CID 102828905) is 2-[1-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid is Cc1sc(CCC2(CC(=O)O)CCCC2)cc1Br.
What is the InChIKey of 2-[1-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid?
The InChIKey is WPOMQKHCRLIXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO2S/c1-10-12(15)8-11(18-10)4-7-14(9-13(16)17)5-2-3-6-14/h8H,2-7,9H2,1H3,(H,16,17).
What are the key properties of 2-[1-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid?
2-[1-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid has a molecular weight of 331.28 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 102828905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).