[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-phenylcyclopentane-1-carboxylate

C22H20FNO2S — CID 18208076

IUPAC[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-phenylcyclopentane-1-carboxylate
SMILESO=C(OCc1csc(-c2ccc(F)cc2)n1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C22H20FNO2S/c23-18-10-8-16(9-11-18)20-24-19(15-27-20)14-26-21(25)22(12-4-5-13-22)17-6-2-1-3-7-17/h1-3,6-11,15H,4-5,12-14H2
InChIKeyIWTGZYSENBIULO-UHFFFAOYSA-N
MW381.47 g/mol
LogP5.50
Rot. Bonds5

About [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-phenylcyclopentane-1-carboxylate

[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-phenylcyclopentane-1-carboxylate (PubChem CID 18208076) has the molecular formula C22H20FNO2S and a molecular weight of 381.47 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-phenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-phenylcyclopentane-1-carboxylate
PubChem CID18208076
Molecular FormulaC22H20FNO2S
Molecular Weight381.47 g/mol
Exact Mass381.12
IUPAC Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-phenylcyclopentane-1-carboxylate
SMILESO=C(OCc1csc(-c2ccc(F)cc2)n1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C22H20FNO2S/c23-18-10-8-16(9-11-18)20-24-19(15-27-20)14-26-21(25)22(12-4-5-13-22)17-6-2-1-3-7-17/h1-3,6-11,15H,4-5,12-14H2
InChIKeyIWTGZYSENBIULO-UHFFFAOYSA-N
XLogP5.50
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.47
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-phenyl-1,3-thiazol-4-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 23878313
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 1-phenylcyclopentane-1-carboxylate
CID 8611711
benzyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2381331
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate
CID 8892468
[2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 46790863
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-amino-4-fluorobenzoate
CID 16612092
methyl 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methoxy]-3-oxo-3-phenylpropanoate
CID 23371312
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate
CID 55319347
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 7455322
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7550414
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenoxy)acetate
CID 23962440
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 5-methylthiophene-2-carboxylate
CID 7837999

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-phenylcyclopentane-1-carboxylate?
The IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-phenylcyclopentane-1-carboxylate (CID 18208076) is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-phenylcyclopentane-1-carboxylate.
What is the SMILES notation for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-phenylcyclopentane-1-carboxylate?
The canonical SMILES for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-phenylcyclopentane-1-carboxylate is O=C(OCc1csc(-c2ccc(F)cc2)n1)C1(c2ccccc2)CCCC1.
What is the InChIKey of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-phenylcyclopentane-1-carboxylate?
The InChIKey is IWTGZYSENBIULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO2S/c23-18-10-8-16(9-11-18)20-24-19(15-27-20)14-26-21(25)22(12-4-5-13-22)17-6-2-1-3-7-17/h1-3,6-11,15H,4-5,12-14H2.
What are the key properties of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-phenylcyclopentane-1-carboxylate?
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-phenylcyclopentane-1-carboxylate has a molecular weight of 381.47 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-phenylcyclopentane-1-carboxylate is sourced from PubChem (CID 18208076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).