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

C20H21FN4OS — CID 6468116

IUPACN-(1,3-benzothiazol-2-yl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccc(F)cc2)CC1)Nc1nc2ccccc2s1
InChIInChI=1S/C20H21FN4OS/c21-16-7-5-15(6-8-16)13-24-9-11-25(12-10-24)14-19(26)23-20-22-17-3-1-2-4-18(17)27-20/h1-8H,9-14H2,(H,22,23,26)
InChIKeyOOGKQZCXFITXBO-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.19
Rot. Bonds5

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

N-(1,3-benzothiazol-2-yl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 6468116) has the molecular formula C20H21FN4OS and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
PubChem CID6468116
Molecular FormulaC20H21FN4OS
Molecular Weight384.48 g/mol
Exact Mass384.14
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccc(F)cc2)CC1)Nc1nc2ccccc2s1
InChIInChI=1S/C20H21FN4OS/c21-16-7-5-15(6-8-16)13-24-9-11-25(12-10-24)14-19(26)23-20-22-17-3-1-2-4-18(17)27-20/h1-8H,9-14H2,(H,22,23,26)
InChIKeyOOGKQZCXFITXBO-UHFFFAOYSA-N
XLogP3.19
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide (CID 6468116) is N-(1,3-benzothiazol-2-yl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2ccc(F)cc2)CC1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is OOGKQZCXFITXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4OS/c21-16-7-5-15(6-8-16)13-24-9-11-25(12-10-24)14-19(26)23-20-22-17-3-1-2-4-18(17)27-20/h1-8H,9-14H2,(H,22,23,26).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide?
N-(1,3-benzothiazol-2-yl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 384.48 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 6468116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).