2-[4-(4-chlorophenyl)piperazin-1-yl]-4-[2-(2-fluorophenoxy)ethyl]-5-methyl-1,3-thiazole

C22H23ClFN3OS — CID 141114092

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-4-[2-(2-fluorophenoxy)ethyl]-5-methyl-1,3-thiazole
SMILESCc1sc(N2CCN(c3ccc(Cl)cc3)CC2)nc1CCOc1ccccc1F
InChIInChI=1S/C22H23ClFN3OS/c1-16-20(10-15-28-21-5-3-2-4-19(21)24)25-22(29-16)27-13-11-26(12-14-27)18-8-6-17(23)7-9-18/h2-9H,10-15H2,1H3
InChIKeyUXIDFAFEVYTCMP-UHFFFAOYSA-N
MW431.96 g/mol
LogP5.19
Rot. Bonds6

About 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-[2-(2-fluorophenoxy)ethyl]-5-methyl-1,3-thiazole

2-[4-(4-chlorophenyl)piperazin-1-yl]-4-[2-(2-fluorophenoxy)ethyl]-5-methyl-1,3-thiazole (PubChem CID 141114092) has the molecular formula C22H23ClFN3OS and a molecular weight of 431.96 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-[2-(2-fluorophenoxy)ethyl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-4-[2-(2-fluorophenoxy)ethyl]-5-methyl-1,3-thiazole
PubChem CID141114092
Molecular FormulaC22H23ClFN3OS
Molecular Weight431.96 g/mol
Exact Mass431.12
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-4-[2-(2-fluorophenoxy)ethyl]-5-methyl-1,3-thiazole
SMILESCc1sc(N2CCN(c3ccc(Cl)cc3)CC2)nc1CCOc1ccccc1F
InChIInChI=1S/C22H23ClFN3OS/c1-16-20(10-15-28-21-5-3-2-4-19(21)24)25-22(29-16)27-13-11-26(12-14-27)18-8-6-17(23)7-9-18/h2-9H,10-15H2,1H3
InChIKeyUXIDFAFEVYTCMP-UHFFFAOYSA-N
XLogP5.19
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.96
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-[2-(2-fluorophenoxy)ethyl]-5-methyl-1,3-thiazole?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-[2-(2-fluorophenoxy)ethyl]-5-methyl-1,3-thiazole (CID 141114092) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-[2-(2-fluorophenoxy)ethyl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-[2-(2-fluorophenoxy)ethyl]-5-methyl-1,3-thiazole?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-[2-(2-fluorophenoxy)ethyl]-5-methyl-1,3-thiazole is Cc1sc(N2CCN(c3ccc(Cl)cc3)CC2)nc1CCOc1ccccc1F.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-[2-(2-fluorophenoxy)ethyl]-5-methyl-1,3-thiazole?
The InChIKey is UXIDFAFEVYTCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN3OS/c1-16-20(10-15-28-21-5-3-2-4-19(21)24)25-22(29-16)27-13-11-26(12-14-27)18-8-6-17(23)7-9-18/h2-9H,10-15H2,1H3.
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-[2-(2-fluorophenoxy)ethyl]-5-methyl-1,3-thiazole?
2-[4-(4-chlorophenyl)piperazin-1-yl]-4-[2-(2-fluorophenoxy)ethyl]-5-methyl-1,3-thiazole has a molecular weight of 431.96 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-[2-(2-fluorophenoxy)ethyl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 141114092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).