2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide

C22H27FN4O2S — CID 54167227

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide
SMILESCN1c2ccc(O)cc2SC1CCNC(=O)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN4O2S/c1-25-19-7-6-18(28)14-20(19)30-22(25)8-9-24-21(29)15-26-10-12-27(13-11-26)17-4-2-16(23)3-5-17/h2-7,14,22,28H,8-13,15H2,1H3,(H,24,29)
InChIKeyOSMTXWGQZQIQQC-UHFFFAOYSA-N
MW430.55 g/mol
LogP2.73
Rot. Bonds6

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide (PubChem CID 54167227) has the molecular formula C22H27FN4O2S and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide
PubChem CID54167227
Molecular FormulaC22H27FN4O2S
Molecular Weight430.55 g/mol
Exact Mass430.18
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide
SMILESCN1c2ccc(O)cc2SC1CCNC(=O)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN4O2S/c1-25-19-7-6-18(28)14-20(19)30-22(25)8-9-24-21(29)15-26-10-12-27(13-11-26)17-4-2-16(23)3-5-17/h2-7,14,22,28H,8-13,15H2,1H3,(H,24,29)
InChIKeyOSMTXWGQZQIQQC-UHFFFAOYSA-N
XLogP2.73
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 46673146
N-(2-fluoro-4-methylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8691168
N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-2-morpholin-4-ylacetamide
CID 54455379
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-methyl-7-oxo-1,2-benzoxazin-3-yl)ethyl]acetamide
CID 67907049
N-(4-fluoro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 50875792
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide
CID 135126584
N-cyclopropyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465367
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 1439429
2-(4-fluorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42266590
N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465206
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 46162316
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2109300

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide (CID 54167227) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide is CN1c2ccc(O)cc2SC1CCNC(=O)CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide?
The InChIKey is OSMTXWGQZQIQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2S/c1-25-19-7-6-18(28)14-20(19)30-22(25)8-9-24-21(29)15-26-10-12-27(13-11-26)17-4-2-16(23)3-5-17/h2-7,14,22,28H,8-13,15H2,1H3,(H,24,29).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide has a molecular weight of 430.55 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 54167227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).