N-(1,3-benzothiazol-2-yl)-2-(4-benzylpiperazin-1-yl)acetamide

C20H22N4OS — CID 7709138

IUPACN-(1,3-benzothiazol-2-yl)-2-(4-benzylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)Nc1nc2ccccc2s1
InChIInChI=1S/C20H22N4OS/c25-19(22-20-21-17-8-4-5-9-18(17)26-20)15-24-12-10-23(11-13-24)14-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,21,22,25)
InChIKeyUPUQOYWCXHKRGU-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.05
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-2-(4-benzylpiperazin-1-yl)acetamide

N-(1,3-benzothiazol-2-yl)-2-(4-benzylpiperazin-1-yl)acetamide (PubChem CID 7709138) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(4-benzylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(4-benzylpiperazin-1-yl)acetamide
PubChem CID7709138
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(4-benzylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)Nc1nc2ccccc2s1
InChIInChI=1S/C20H22N4OS/c25-19(22-20-21-17-8-4-5-9-18(17)26-20)15-24-12-10-23(11-13-24)14-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,21,22,25)
InChIKeyUPUQOYWCXHKRGU-UHFFFAOYSA-N
XLogP3.05
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.05
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-benzylpiperazin-1-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-benzylpiperazin-1-yl)acetamide (CID 7709138) is N-(1,3-benzothiazol-2-yl)-2-(4-benzylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(4-benzylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(4-benzylpiperazin-1-yl)acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(4-benzylpiperazin-1-yl)acetamide?
The InChIKey is UPUQOYWCXHKRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c25-19(22-20-21-17-8-4-5-9-18(17)26-20)15-24-12-10-23(11-13-24)14-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,21,22,25).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(4-benzylpiperazin-1-yl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(4-benzylpiperazin-1-yl)acetamide has a molecular weight of 366.49 g/mol, XLogP of 3.05, 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-benzylpiperazin-1-yl)acetamide is sourced from PubChem (CID 7709138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).