[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone

C24H25ClFN5OS — CID 75120083

IUPAC[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone
SMILESO=C(C1CC(c2ccc(F)cc2)NN1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)cs2)CC1
InChIInChI=1S/C24H25ClFN5OS/c25-18-5-1-17(2-6-18)22-15-33-23(27-22)14-30-9-11-31(12-10-30)24(32)21-13-20(28-29-21)16-3-7-19(26)8-4-16/h1-8,15,20-21,28-29H,9-14H2
InChIKeyAUPBMDJQCBYSFE-UHFFFAOYSA-N
MW486.02 g/mol
LogP3.85
Rot. Bonds5

About [4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone

[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone (PubChem CID 75120083) has the molecular formula C24H25ClFN5OS and a molecular weight of 486.02 g/mol. Its IUPAC name is [4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone.

Molecular Properties

Compound Name[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone
PubChem CID75120083
Molecular FormulaC24H25ClFN5OS
Molecular Weight486.02 g/mol
Exact Mass485.15
IUPAC Name[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone
SMILESO=C(C1CC(c2ccc(F)cc2)NN1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)cs2)CC1
InChIInChI=1S/C24H25ClFN5OS/c25-18-5-1-17(2-6-18)22-15-33-23(27-22)14-30-9-11-31(12-10-30)24(32)21-13-20(28-29-21)16-3-7-19(26)8-4-16/h1-8,15,20-21,28-29H,9-14H2
InChIKeyAUPBMDJQCBYSFE-UHFFFAOYSA-N
XLogP3.85
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.02
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2,4-difluorophenyl)-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone;hydrochloride
CID 71780196
N-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30463998
2-(4-fluorophenyl)-1-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone;hydrochloride
CID 71780187
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone
CID 134051851
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-cyclohexylpiperazine-1-carboxamide
CID 30464073
2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid
CID 71780540
1-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 71780254
4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide
CID 30464037
N-(4-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30464150
N-(5-chloro-2-methoxyphenyl)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 30486227
4-(4-fluorophenyl)-2-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 135092286
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 30464115

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone?
The IUPAC name of [4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone (CID 75120083) is [4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone.
What is the SMILES notation for [4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone?
The canonical SMILES for [4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone is O=C(C1CC(c2ccc(F)cc2)NN1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)cs2)CC1.
What is the InChIKey of [4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone?
The InChIKey is AUPBMDJQCBYSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN5OS/c25-18-5-1-17(2-6-18)22-15-33-23(27-22)14-30-9-11-31(12-10-30)24(32)21-13-20(28-29-21)16-3-7-19(26)8-4-16/h1-8,15,20-21,28-29H,9-14H2.
What are the key properties of [4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone?
[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone has a molecular weight of 486.02 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone is sourced from PubChem (CID 75120083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).