(2-phenyl-1,3-thiazol-4-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate

C22H20FNO2S — CID 23878313

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

About (2-phenyl-1,3-thiazol-4-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate

(2-phenyl-1,3-thiazol-4-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 23878313) has the molecular formula C22H20FNO2S and a molecular weight of 381.47 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID23878313
Molecular FormulaC22H20FNO2S
Molecular Weight381.47 g/mol
Exact Mass381.12
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(OCc1csc(-c2ccccc2)n1)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C22H20FNO2S/c23-18-10-8-17(9-11-18)22(12-4-5-13-22)21(25)26-14-19-15-27-20(24-19)16-6-2-1-3-7-16/h1-3,6-11,15H,4-5,12-14H2
InChIKeyOTCSWRBKXOEWDD-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

Analyze (2-phenyl-1,3-thiazol-4-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-phenylcyclopentane-1-carboxylate
CID 18208076
benzyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2381331
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 1-phenylcyclopentane-1-carboxylate
CID 8611711
[2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 46790863
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenoxy)acetate
CID 23962440
(2-ethyl-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate
CID 55533819
(2-phenyl-1,3-thiazol-4-yl)methyl 3,4-difluorobenzoate
CID 30305825
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate
CID 8892468
(2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866420
(2-phenyl-1,3-thiazol-4-yl)methyl pyridine-4-carboxylate
CID 7478095
(2-phenyl-1,3-thiazol-4-yl)methyl 2-[bromo(triphenyl)-λ5-phosphanyl]acetate
CID 164942759
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-amino-4-fluorobenzoate
CID 16612092

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate (CID 23878313) is (2-phenyl-1,3-thiazol-4-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate is O=C(OCc1csc(-c2ccccc2)n1)C1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is OTCSWRBKXOEWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO2S/c23-18-10-8-17(9-11-18)22(12-4-5-13-22)21(25)26-14-19-15-27-20(24-19)16-6-2-1-3-7-16/h1-3,6-11,15H,4-5,12-14H2.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
(2-phenyl-1,3-thiazol-4-yl)methyl 1-(4-fluorophenyl)cyclopentane-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-phenyl-1,3-thiazol-4-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 23878313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).