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

C21H21N3O2S — CID 110372121

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cccc(-c3nccs3)c2)CC1
InChIInChI=1S/C21H21N3O2S/c1-26-19-8-3-2-7-18(19)23-10-12-24(13-11-23)21(25)17-6-4-5-16(15-17)20-22-9-14-27-20/h2-9,14-15H,10-13H2,1H3
InChIKeyVPVAUMBACBHKCY-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.78
Rot. Bonds4

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

[4-(2-methoxyphenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone (PubChem CID 110372121) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
PubChem CID110372121
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cccc(-c3nccs3)c2)CC1
InChIInChI=1S/C21H21N3O2S/c1-26-19-8-3-2-7-18(19)23-10-12-24(13-11-23)21(25)17-6-4-5-16(15-17)20-22-9-14-27-20/h2-9,14-15H,10-13H2,1H3
InChIKeyVPVAUMBACBHKCY-UHFFFAOYSA-N
XLogP3.78
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372123
(4-methylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372090
(4-pyridin-2-ylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372125
[4-(2-methoxyphenyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 26534443
(3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 113199237
2,3-dihydroindol-1-yl-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372145
1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9335620
[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 46054196
[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249260
[3-(2-methoxyanilino)sulfanylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 146231616
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
[2-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 18950554

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone (CID 110372121) is [4-(2-methoxyphenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone is COc1ccccc1N1CCN(C(=O)c2cccc(-c3nccs3)c2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone?
The InChIKey is VPVAUMBACBHKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-26-19-8-3-2-7-18(19)23-10-12-24(13-11-23)21(25)17-6-4-5-16(15-17)20-22-9-14-27-20/h2-9,14-15H,10-13H2,1H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone has a molecular weight of 379.49 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone is sourced from PubChem (CID 110372121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).