4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride

C15H20ClN3OS — CID 120767619

IUPAC4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
SMILESCOc1ccccc1C1CNCCN1Cc1cscn1.Cl
InChIInChI=1S/C15H19N3OS.ClH/c1-19-15-5-3-2-4-13(15)14-8-16-6-7-18(14)9-12-10-20-11-17-12;/h2-5,10-11,14,16H,6-9H2,1H3;1H
InChIKeyKSILVEPJDRCSKB-UHFFFAOYSA-N
MW325.87 g/mol
LogP2.72
Rot. Bonds4

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

4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride (PubChem CID 120767619) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
PubChem CID120767619
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC Name4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
SMILESCOc1ccccc1C1CNCCN1Cc1cscn1.Cl
InChIInChI=1S/C15H19N3OS.ClH/c1-19-15-5-3-2-4-13(15)14-8-16-6-7-18(14)9-12-10-20-11-17-12;/h2-5,10-11,14,16H,6-9H2,1H3;1H
InChIKeyKSILVEPJDRCSKB-UHFFFAOYSA-N
XLogP2.72
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120767381
2-(2-methoxyphenyl)-1-[(5-methyl-2-pyridinyl)methyl]piperazine
CID 120767478
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-propyl-1,3-thiazole;dihydrochloride
CID 120753805
2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 124943474
2-(2-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 110109239
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 120753181
2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride
CID 120767521
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 120767508
2-cyclopentyl-4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120754217
2-(2-methoxyphenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120767246
2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120767431
3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole;hydrochloride
CID 120753624

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride?
The IUPAC name of 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride (CID 120767619) is 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride is COc1ccccc1C1CNCCN1Cc1cscn1.Cl.
What is the InChIKey of 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride?
The InChIKey is KSILVEPJDRCSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.ClH/c1-19-15-5-3-2-4-13(15)14-8-16-6-7-18(14)9-12-10-20-11-17-12;/h2-5,10-11,14,16H,6-9H2,1H3;1H.
What are the key properties of 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride?
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride has a molecular weight of 325.87 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120767619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).