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

C21H20FN3O2S — CID 25355761

IUPAC[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2csc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C21H20FN3O2S/c1-27-19-5-3-2-4-18(19)24-10-12-25(13-11-24)21(26)17-14-28-20(23-17)15-6-8-16(22)9-7-15/h2-9,14H,10-13H2,1H3
InChIKeyAMJJCFVIPVXIQW-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.92
Rot. Bonds4

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

[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 25355761) has the molecular formula C21H20FN3O2S and a molecular weight of 397.48 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID25355761
Molecular FormulaC21H20FN3O2S
Molecular Weight397.48 g/mol
Exact Mass397.13
IUPAC Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2csc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C21H20FN3O2S/c1-27-19-5-3-2-4-18(19)24-10-12-25(13-11-24)21(26)17-14-28-20(23-17)15-6-8-16(22)9-7-15/h2-9,14H,10-13H2,1H3
InChIKeyAMJJCFVIPVXIQW-UHFFFAOYSA-N
XLogP3.92
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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[2-(4-Methoxybenzyl)-1,3-thiazol-4-yl](piperidino)methanone
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CID 44449617
CID 44449617
N-(2-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
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4-(3-Methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride
CID 73350334
4-(3-Methoxyphenyl)-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrate;trihydrochloride
CID 73354844

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 25355761) is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2csc(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is AMJJCFVIPVXIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2S/c1-27-19-5-3-2-4-18(19)24-10-12-25(13-11-24)21(26)17-14-28-20(23-17)15-6-8-16(22)9-7-15/h2-9,14H,10-13H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 397.48 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 25355761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).