2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole

C16H18F3N3OS — CID 133365976

IUPAC2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCCOc1ccccc1N1CCN(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C16H18F3N3OS/c1-2-23-13-6-4-3-5-12(13)21-7-9-22(10-8-21)15-20-14(11-24-15)16(17,18)19/h3-6,11H,2,7-10H2,1H3
InChIKeySGZNFVPLRNQRBC-UHFFFAOYSA-N
MW357.40 g/mol
LogP3.89
Rot. Bonds4

About 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole

2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 133365976) has the molecular formula C16H18F3N3OS and a molecular weight of 357.40 g/mol. Its IUPAC name is 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID133365976
Molecular FormulaC16H18F3N3OS
Molecular Weight357.40 g/mol
Exact Mass357.11
IUPAC Name2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCCOc1ccccc1N1CCN(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C16H18F3N3OS/c1-2-23-13-6-4-3-5-12(13)21-7-9-22(10-8-21)15-20-14(11-24-15)16(17,18)19/h3-6,11H,2,7-10H2,1H3
InChIKeySGZNFVPLRNQRBC-UHFFFAOYSA-N
XLogP3.89
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 133365981
5-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole
CID 3877515
ethane;1-(2-ethoxyphenyl)piperazine
CID 142040905
2-[4-(2-ethoxyphenyl)piperazin-1-yl]quinoxaline
CID 33370380
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole
CID 133465792
2-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 166604960
4-[[4-(2-ethoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 70809646
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 47031332
1-(2-ethoxyphenyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 2845250
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 4993923
5-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride
CID 67918642
1-(2-ethoxyphenyl)-4-[(4-fluorophenyl)methylsulfonyl]piperazine
CID 32673178

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 133365976) is 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole is CCOc1ccccc1N1CCN(c2nc(C(F)(F)F)cs2)CC1.
What is the InChIKey of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is SGZNFVPLRNQRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3OS/c1-2-23-13-6-4-3-5-12(13)21-7-9-22(10-8-21)15-20-14(11-24-15)16(17,18)19/h3-6,11H,2,7-10H2,1H3.
What are the key properties of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 357.40 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 133365976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).