4-[(4-phenylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride

C20H23Cl2N3S — CID 3056198

IUPAC4-[(4-phenylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride
SMILESCl.Cl.c1ccc(-c2ccc(Cc3csc(N4CCNCC4)n3)cc2)cc1
InChIInChI=1S/C20H21N3S.2ClH/c1-2-4-17(5-3-1)18-8-6-16(7-9-18)14-19-15-24-20(22-19)23-12-10-21-11-13-23;;/h1-9,15,21H,10-14H2;2*1H
InChIKeyZQBXEKJNJSDIOC-UHFFFAOYSA-N
MW408.40 g/mol
LogP4.65
Rot. Bonds4

About 4-[(4-phenylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride

4-[(4-phenylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride (PubChem CID 3056198) has the molecular formula C20H23Cl2N3S and a molecular weight of 408.40 g/mol. Its IUPAC name is 4-[(4-phenylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride.

Molecular Properties

Compound Name4-[(4-phenylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride
PubChem CID3056198
Molecular FormulaC20H23Cl2N3S
Molecular Weight408.40 g/mol
Exact Mass407.10
IUPAC Name4-[(4-phenylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride
SMILESCl.Cl.c1ccc(-c2ccc(Cc3csc(N4CCNCC4)n3)cc2)cc1
InChIInChI=1S/C20H21N3S.2ClH/c1-2-4-17(5-3-1)18-8-6-16(7-9-18)14-19-15-24-20(22-19)23-12-10-21-11-13-23;;/h1-9,15,21H,10-14H2;2*1H
InChIKeyZQBXEKJNJSDIOC-UHFFFAOYSA-N
XLogP4.65
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride?
The IUPAC name of 4-[(4-phenylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride (CID 3056198) is 4-[(4-phenylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride.
What is the SMILES notation for 4-[(4-phenylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride?
The canonical SMILES for 4-[(4-phenylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride is Cl.Cl.c1ccc(-c2ccc(Cc3csc(N4CCNCC4)n3)cc2)cc1.
What is the InChIKey of 4-[(4-phenylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride?
The InChIKey is ZQBXEKJNJSDIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3S.2ClH/c1-2-4-17(5-3-1)18-8-6-16(7-9-18)14-19-15-24-20(22-19)23-12-10-21-11-13-23;;/h1-9,15,21H,10-14H2;2*1H.
What are the key properties of 4-[(4-phenylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride?
4-[(4-phenylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride has a molecular weight of 408.40 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride is sourced from PubChem (CID 3056198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).