5-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;dihydrochloride

C16H22Cl2FN3OS — CID 3078068

IUPAC5-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;dihydrochloride
SMILESCc1ncsc1OCCN1CCN(c2ccccc2F)CC1.Cl.Cl
InChIInChI=1S/C16H20FN3OS.2ClH/c1-13-16(22-12-18-13)21-11-10-19-6-8-20(9-7-19)15-5-3-2-4-14(15)17;;/h2-5,12H,6-11H2,1H3;2*1H
InChIKeyZEDXFFMSPBJSCW-UHFFFAOYSA-N
MW394.34 g/mol
LogP3.64
Rot. Bonds5

About 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;dihydrochloride

5-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;dihydrochloride (PubChem CID 3078068) has the molecular formula C16H22Cl2FN3OS and a molecular weight of 394.34 g/mol. Its IUPAC name is 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;dihydrochloride.

Molecular Properties

Compound Name5-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;dihydrochloride
PubChem CID3078068
Molecular FormulaC16H22Cl2FN3OS
Molecular Weight394.34 g/mol
Exact Mass393.08
IUPAC Name5-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;dihydrochloride
SMILESCc1ncsc1OCCN1CCN(c2ccccc2F)CC1.Cl.Cl
InChIInChI=1S/C16H20FN3OS.2ClH/c1-13-16(22-12-18-13)21-11-10-19-6-8-20(9-7-19)15-5-3-2-4-14(15)17;;/h2-5,12H,6-11H2,1H3;2*1H
InChIKeyZEDXFFMSPBJSCW-UHFFFAOYSA-N
XLogP3.64
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.34
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 45006688
5-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-2,3-dimethylpyrazine
CID 139654537
5-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride
CID 67918642
4-methyl-5-[2-[4-(2-pentoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 54061893
1-(2-methylphenyl)-4-(2-pyridin-2-yloxyethyl)piperazine;hydrochloride
CID 21149439
4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 154828993
5-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1,3,4-thiadiazol-2-amine;hydrochloride
CID 19932960
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-ol
CID 64789983
5-chloro-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazole
CID 60671383
3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione
CID 25468385
2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride
CID 174610452

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;dihydrochloride?
The IUPAC name of 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;dihydrochloride (CID 3078068) is 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;dihydrochloride.
What is the SMILES notation for 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;dihydrochloride?
The canonical SMILES for 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;dihydrochloride is Cc1ncsc1OCCN1CCN(c2ccccc2F)CC1.Cl.Cl.
What is the InChIKey of 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;dihydrochloride?
The InChIKey is ZEDXFFMSPBJSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3OS.2ClH/c1-13-16(22-12-18-13)21-11-10-19-6-8-20(9-7-19)15-5-3-2-4-14(15)17;;/h2-5,12H,6-11H2,1H3;2*1H.
What are the key properties of 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;dihydrochloride?
5-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;dihydrochloride has a molecular weight of 394.34 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;dihydrochloride is sourced from PubChem (CID 3078068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).