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

C23H28ClN3O2S — CID 73350334

IUPAC4-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride
SMILESCOc1cccc(-c2csc(CCN3CCN(c4ccccc4OC)CC3)n2)c1.Cl
InChIInChI=1S/C23H27N3O2S.ClH/c1-27-19-7-5-6-18(16-19)20-17-29-23(24-20)10-11-25-12-14-26(15-13-25)21-8-3-4-9-22(21)28-2;/h3-9,16-17H,10-15H2,1-2H3;1H
InChIKeyBBXFSMRJSWMPQM-UHFFFAOYSA-N
MW446.02 g/mol
LogP4.61
Rot. Bonds7

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

4-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride (PubChem CID 73350334) has the molecular formula C23H28ClN3O2S and a molecular weight of 446.02 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride
PubChem CID73350334
Molecular FormulaC23H28ClN3O2S
Molecular Weight446.02 g/mol
Exact Mass445.16
IUPAC Name4-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride
SMILESCOc1cccc(-c2csc(CCN3CCN(c4ccccc4OC)CC3)n2)c1.Cl
InChIInChI=1S/C23H27N3O2S.ClH/c1-27-19-7-5-6-18(16-19)20-17-29-23(24-20)10-11-25-12-14-26(15-13-25)21-8-3-4-9-22(21)28-2;/h3-9,16-17H,10-15H2,1-2H3;1H
InChIKeyBBXFSMRJSWMPQM-UHFFFAOYSA-N
XLogP4.61
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.02
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride?
The IUPAC name of 4-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride (CID 73350334) is 4-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride is COc1cccc(-c2csc(CCN3CCN(c4ccccc4OC)CC3)n2)c1.Cl.
What is the InChIKey of 4-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride?
The InChIKey is BBXFSMRJSWMPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S.ClH/c1-27-19-7-5-6-18(16-19)20-17-29-23(24-20)10-11-25-12-14-26(15-13-25)21-8-3-4-9-22(21)28-2;/h3-9,16-17H,10-15H2,1-2H3;1H.
What are the key properties of 4-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride?
4-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride has a molecular weight of 446.02 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride is sourced from PubChem (CID 73350334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).