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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Related Compounds

phenyl-[4-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]phenyl]methanone;hydrate;hydrochloride
CID 21153255
bis(4-[(3-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole);hydrate;tetrahydrochloride
CID 21153249
4-methyl-6-[(4-methylphenyl)methyl]-2-piperazin-1-ylpyrimidine
CID 157251381
2-(2-piperazin-1-yl-1,3-thiazol-4-yl)ethanamine
CID 82278115
ethane;4-methyl-2-piperazin-1-yl-1,3-thiazole
CID 143994298
2-(4-methylphenyl)-4-piperazin-1-yl-1,3-thiazole
CID 116889870
(4-fluorophenyl)-[2-methyl-4-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 69170472
4-[(4-chlorophenyl)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-[(4-methoxyphenyl)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 161031178
2-[(4-methylphenyl)methyl]-7-piperazin-1-ylimidazo[1,2-a]pyridine
CID 117236404
2-[4-(2,5-dibromo-3,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-[(4-ethylphenyl)methyl]-1,3-thiazole;2-[4-(2,5-dibromo-3,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-[(4-methylphenyl)methyl]-1,3-thiazole
CID 87552384
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
CID 39305192
(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl 2,2-dimethylpropanoate
CID 174585366

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).