N-(2,1,3-benzothiadiazol-4-yl)-2-(4-benzoylpiperazin-1-yl)acetamide

C19H19N5O2S — CID 9105313

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2-(4-benzoylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1cccc2nsnc12
InChIInChI=1S/C19H19N5O2S/c25-17(20-15-7-4-8-16-18(15)22-27-21-16)13-23-9-11-24(12-10-23)19(26)14-5-2-1-3-6-14/h1-8H,9-13H2,(H,20,25)
InChIKeyFEUWGRDGZYIMEB-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.09
Rot. Bonds4

About N-(2,1,3-benzothiadiazol-4-yl)-2-(4-benzoylpiperazin-1-yl)acetamide

N-(2,1,3-benzothiadiazol-4-yl)-2-(4-benzoylpiperazin-1-yl)acetamide (PubChem CID 9105313) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2-(4-benzoylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2-(4-benzoylpiperazin-1-yl)acetamide
PubChem CID9105313
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2-(4-benzoylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1cccc2nsnc12
InChIInChI=1S/C19H19N5O2S/c25-17(20-15-7-4-8-16-18(15)22-27-21-16)13-23-9-11-24(12-10-23)19(26)14-5-2-1-3-6-14/h1-8H,9-13H2,(H,20,25)
InChIKeyFEUWGRDGZYIMEB-UHFFFAOYSA-N
XLogP2.09
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-(4-benzoylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-(4-benzoylpiperazin-1-yl)acetamide (CID 9105313) is N-(2,1,3-benzothiadiazol-4-yl)-2-(4-benzoylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2-(4-benzoylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2-(4-benzoylpiperazin-1-yl)acetamide is O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1cccc2nsnc12.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2-(4-benzoylpiperazin-1-yl)acetamide?
The InChIKey is FEUWGRDGZYIMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c25-17(20-15-7-4-8-16-18(15)22-27-21-16)13-23-9-11-24(12-10-23)19(26)14-5-2-1-3-6-14/h1-8H,9-13H2,(H,20,25).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2-(4-benzoylpiperazin-1-yl)acetamide?
N-(2,1,3-benzothiadiazol-4-yl)-2-(4-benzoylpiperazin-1-yl)acetamide has a molecular weight of 381.46 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-2-(4-benzoylpiperazin-1-yl)acetamide is sourced from PubChem (CID 9105313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).