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

C15H21Cl2N3S — CID 3056209

IUPAC4-[(4-methylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride
SMILESCc1ccc(Cc2csc(N3CCNCC3)n2)cc1.Cl.Cl
InChIInChI=1S/C15H19N3S.2ClH/c1-12-2-4-13(5-3-12)10-14-11-19-15(17-14)18-8-6-16-7-9-18;;/h2-5,11,16H,6-10H2,1H3;2*1H
InChIKeyJBAPXIWXXSLOAA-UHFFFAOYSA-N
MW346.33 g/mol
LogP3.30
Rot. Bonds3

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

4-[(4-methylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride (PubChem CID 3056209) has the molecular formula C15H21Cl2N3S and a molecular weight of 346.33 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride.

Molecular Properties

Compound Name4-[(4-methylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride
PubChem CID3056209
Molecular FormulaC15H21Cl2N3S
Molecular Weight346.33 g/mol
Exact Mass345.08
IUPAC Name4-[(4-methylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride
SMILESCc1ccc(Cc2csc(N3CCNCC3)n2)cc1.Cl.Cl
InChIInChI=1S/C15H19N3S.2ClH/c1-12-2-4-13(5-3-12)10-14-11-19-15(17-14)18-8-6-16-7-9-18;;/h2-5,11,16H,6-10H2,1H3;2*1H
InChIKeyJBAPXIWXXSLOAA-UHFFFAOYSA-N
XLogP3.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride?
The IUPAC name of 4-[(4-methylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride (CID 3056209) is 4-[(4-methylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride.
What is the SMILES notation for 4-[(4-methylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride?
The canonical SMILES for 4-[(4-methylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride is Cc1ccc(Cc2csc(N3CCNCC3)n2)cc1.Cl.Cl.
What is the InChIKey of 4-[(4-methylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride?
The InChIKey is JBAPXIWXXSLOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S.2ClH/c1-12-2-4-13(5-3-12)10-14-11-19-15(17-14)18-8-6-16-7-9-18;;/h2-5,11,16H,6-10H2,1H3;2*1H.
What are the key properties of 4-[(4-methylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride?
4-[(4-methylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride has a molecular weight of 346.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride is sourced from PubChem (CID 3056209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).