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

C21H23N3S — CID 12050196

IUPAC4-[(4-benzylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole
SMILESc1ccc(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C21H23N3S/c1-3-7-18(8-4-1)15-23-11-13-24(14-12-23)16-20-17-25-21(22-20)19-9-5-2-6-10-19/h1-10,17H,11-16H2
InChIKeySUBIJFYEXXITCD-UHFFFAOYSA-N
MW349.50 g/mol
LogP4.13
Rot. Bonds5

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

4-[(4-benzylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole (PubChem CID 12050196) has the molecular formula C21H23N3S and a molecular weight of 349.50 g/mol. Its IUPAC name is 4-[(4-benzylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-benzylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole
PubChem CID12050196
Molecular FormulaC21H23N3S
Molecular Weight349.50 g/mol
Exact Mass349.16
IUPAC Name4-[(4-benzylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole
SMILESc1ccc(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C21H23N3S/c1-3-7-18(8-4-1)15-23-11-13-24(14-12-23)16-20-17-25-21(22-20)19-9-5-2-6-10-19/h1-10,17H,11-16H2
InChIKeySUBIJFYEXXITCD-UHFFFAOYSA-N
XLogP4.13
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[(4-benzylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole (CID 12050196) is 4-[(4-benzylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[(4-benzylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[(4-benzylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole is c1ccc(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1.
What is the InChIKey of 4-[(4-benzylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole?
The InChIKey is SUBIJFYEXXITCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3S/c1-3-7-18(8-4-1)15-23-11-13-24(14-12-23)16-20-17-25-21(22-20)19-9-5-2-6-10-19/h1-10,17H,11-16H2.
What are the key properties of 4-[(4-benzylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole?
4-[(4-benzylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole has a molecular weight of 349.50 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzylpiperazin-1-yl)methyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 12050196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).