ethyl 2-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate

C15H13BrFNO2S — CID 114905332

IUPACethyl 2-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESCCOC(=O)C1CCc2sc(-c3ccc(Br)cc3F)nc21
InChIInChI=1S/C15H13BrFNO2S/c1-2-20-15(19)10-5-6-12-13(10)18-14(21-12)9-4-3-8(16)7-11(9)17/h3-4,7,10H,2,5-6H2,1H3
InChIKeyOXPMUOFFZQTGEI-UHFFFAOYSA-N
MW370.24 g/mol
LogP4.30
Rot. Bonds3

About ethyl 2-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate

ethyl 2-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (PubChem CID 114905332) has the molecular formula C15H13BrFNO2S and a molecular weight of 370.24 g/mol. Its IUPAC name is ethyl 2-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
PubChem CID114905332
Molecular FormulaC15H13BrFNO2S
Molecular Weight370.24 g/mol
Exact Mass368.98
IUPAC Nameethyl 2-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESCCOC(=O)C1CCc2sc(-c3ccc(Br)cc3F)nc21
InChIInChI=1S/C15H13BrFNO2S/c1-2-20-15(19)10-5-6-12-13(10)18-14(21-12)9-4-3-8(16)7-11(9)17/h3-4,7,10H,2,5-6H2,1H3
InChIKeyOXPMUOFFZQTGEI-UHFFFAOYSA-N
XLogP4.30
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate with MolForge

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Related Compounds

2-(4-fluoro-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395638
ethyl 2-(3-bromofuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate
CID 106886066
ethyl 2-(4-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 114905320
2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 107935405
2-(5-fluoro-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395624
ethyl 2-[(5-methyl-3-pyridinyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 107587125
ethyl 2-(6-methyl-3-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate
CID 104822757
ethyl 2-(3-methylcyclopentyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 113395606
ethyl 2-(2-methoxypropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 113395600
ethyl 2-[1-(oxan-2-yl)pyrazol-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate
CID 177310331
ethyl 2-(1-ethoxy-2,2-dimethylpropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 116705343
ethyl 2-(1-methoxycyclobutyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 116705336

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (CID 114905332) is ethyl 2-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is CCOC(=O)C1CCc2sc(-c3ccc(Br)cc3F)nc21.
What is the InChIKey of ethyl 2-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The InChIKey is OXPMUOFFZQTGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2S/c1-2-20-15(19)10-5-6-12-13(10)18-14(21-12)9-4-3-8(16)7-11(9)17/h3-4,7,10H,2,5-6H2,1H3.
What are the key properties of ethyl 2-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
ethyl 2-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate has a molecular weight of 370.24 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is sourced from PubChem (CID 114905332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).