[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone

C23H25N3O2S — CID 55405887

IUPAC[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(-c2nc(C(=O)N3CCN(Cc4cccc(C)c4)CC3)cs2)cc1
InChIInChI=1S/C23H25N3O2S/c1-17-4-3-5-18(14-17)15-25-10-12-26(13-11-25)23(27)21-16-29-22(24-21)19-6-8-20(28-2)9-7-19/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyGUIANMJYOITILV-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.09
Rot. Bonds5

About [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone

[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 55405887) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID55405887
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(-c2nc(C(=O)N3CCN(Cc4cccc(C)c4)CC3)cs2)cc1
InChIInChI=1S/C23H25N3O2S/c1-17-4-3-5-18(14-17)15-25-10-12-26(13-11-25)23(27)21-16-29-22(24-21)19-6-8-20(28-2)9-7-19/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyGUIANMJYOITILV-UHFFFAOYSA-N
XLogP4.09
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 196841
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CID 4554836
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CID 196840
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CID 10021953
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CID 10069331
CID 10069331
CID 10364476
CID 10364476
CID 10386867
CID 10386867
CID 24779778
CID 24779778
CID 25095483
CID 25095483
CID 25095744
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CID 25095999
CID 25095999

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone (CID 55405887) is [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone is COc1ccc(-c2nc(C(=O)N3CCN(Cc4cccc(C)c4)CC3)cs2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is GUIANMJYOITILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-17-4-3-5-18(14-17)15-25-10-12-26(13-11-25)23(27)21-16-29-22(24-21)19-6-8-20(28-2)9-7-19/h3-9,14,16H,10-13,15H2,1-2H3.
What are the key properties of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 407.54 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55405887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).