4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole

C21H22ClN3S — CID 22195276

IUPAC4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
SMILESClc1cccc(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1
InChIInChI=1S/C21H22ClN3S/c22-19-8-4-5-17(13-19)14-24-9-11-25(12-10-24)15-20-16-26-21(23-20)18-6-2-1-3-7-18/h1-8,13,16H,9-12,14-15H2
InChIKeyINRFTCCKBGKSFY-UHFFFAOYSA-N
MW383.95 g/mol
LogP4.78
Rot. Bonds5

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

4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole (PubChem CID 22195276) has the molecular formula C21H22ClN3S and a molecular weight of 383.95 g/mol. Its IUPAC name is 4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
PubChem CID22195276
Molecular FormulaC21H22ClN3S
Molecular Weight383.95 g/mol
Exact Mass383.12
IUPAC Name4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
SMILESClc1cccc(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1
InChIInChI=1S/C21H22ClN3S/c22-19-8-4-5-17(13-19)14-24-9-11-25(12-10-24)15-20-16-26-21(23-20)18-6-2-1-3-7-18/h1-8,13,16H,9-12,14-15H2
InChIKeyINRFTCCKBGKSFY-UHFFFAOYSA-N
XLogP4.78
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.95
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 22195641
methyl 3-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]benzoate
CID 30410977
2-phenyl-4-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 60501855
4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 17375794
3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8599611
2-ethyl-5-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 30411659
3-phenyl-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 30463070
4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butanenitrile
CID 51075203
2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 6464477
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
2,2-dimethyl-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 37274617
7-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 6464868

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole (CID 22195276) is 4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole is Clc1cccc(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1.
What is the InChIKey of 4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole?
The InChIKey is INRFTCCKBGKSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3S/c22-19-8-4-5-17(13-19)14-24-9-11-25(12-10-24)15-20-16-26-21(23-20)18-6-2-1-3-7-18/h1-8,13,16H,9-12,14-15H2.
What are the key properties of 4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole?
4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole has a molecular weight of 383.95 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 22195276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).