[4-(2-chlorophenyl)piperazin-1-yl]-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone

C22H18ClFN4OS — CID 42269954

IUPAC[4-(2-chlorophenyl)piperazin-1-yl]-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
SMILESO=C(c1csc2nc(-c3ccc(F)cc3)cn12)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C22H18ClFN4OS/c23-17-3-1-2-4-19(17)26-9-11-27(12-10-26)21(29)20-14-30-22-25-18(13-28(20)22)15-5-7-16(24)8-6-15/h1-8,13-14H,9-12H2
InChIKeyYEQFTTYGDRDPMC-UHFFFAOYSA-N
MW440.93 g/mol
LogP4.82
Rot. Bonds3

About [4-(2-chlorophenyl)piperazin-1-yl]-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone

[4-(2-chlorophenyl)piperazin-1-yl]-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone (PubChem CID 42269954) has the molecular formula C22H18ClFN4OS and a molecular weight of 440.93 g/mol. Its IUPAC name is [4-(2-chlorophenyl)piperazin-1-yl]-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(2-chlorophenyl)piperazin-1-yl]-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
PubChem CID42269954
Molecular FormulaC22H18ClFN4OS
Molecular Weight440.93 g/mol
Exact Mass440.09
IUPAC Name[4-(2-chlorophenyl)piperazin-1-yl]-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
SMILESO=C(c1csc2nc(-c3ccc(F)cc3)cn12)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C22H18ClFN4OS/c23-17-3-1-2-4-19(17)26-9-11-27(12-10-26)21(29)20-14-30-22-25-18(13-28(20)22)15-5-7-16(24)8-6-15/h1-8,13-14H,9-12H2
InChIKeyYEQFTTYGDRDPMC-UHFFFAOYSA-N
XLogP4.82
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone?
The IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone (CID 42269954) is [4-(2-chlorophenyl)piperazin-1-yl]-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone.
What is the SMILES notation for [4-(2-chlorophenyl)piperazin-1-yl]-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone?
The canonical SMILES for [4-(2-chlorophenyl)piperazin-1-yl]-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone is O=C(c1csc2nc(-c3ccc(F)cc3)cn12)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of [4-(2-chlorophenyl)piperazin-1-yl]-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone?
The InChIKey is YEQFTTYGDRDPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4OS/c23-17-3-1-2-4-19(17)26-9-11-27(12-10-26)21(29)20-14-30-22-25-18(13-28(20)22)15-5-7-16(24)8-6-15/h1-8,13-14H,9-12H2.
What are the key properties of [4-(2-chlorophenyl)piperazin-1-yl]-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone?
[4-(2-chlorophenyl)piperazin-1-yl]-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone has a molecular weight of 440.93 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)piperazin-1-yl]-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone is sourced from PubChem (CID 42269954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).