4-acetamido-N-[4-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide

C24H29N5O2S — CID 67835646

IUPAC4-acetamido-N-[4-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCCCN2CCN(c3snc4ccccc34)CC2)cc1
InChIInChI=1S/C24H29N5O2S/c1-18(30)26-20-10-8-19(9-11-20)23(31)25-12-4-5-13-28-14-16-29(17-15-28)24-21-6-2-3-7-22(21)27-32-24/h2-3,6-11H,4-5,12-17H2,1H3,(H,25,31)(H,26,30)
InChIKeyOQWZZNMOWGXOHC-UHFFFAOYSA-N
MW451.60 g/mol
LogP3.59
Rot. Bonds8

About 4-acetamido-N-[4-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide

4-acetamido-N-[4-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide (PubChem CID 67835646) has the molecular formula C24H29N5O2S and a molecular weight of 451.60 g/mol. Its IUPAC name is 4-acetamido-N-[4-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[4-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide
PubChem CID67835646
Molecular FormulaC24H29N5O2S
Molecular Weight451.60 g/mol
Exact Mass451.20
IUPAC Name4-acetamido-N-[4-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCCCN2CCN(c3snc4ccccc34)CC2)cc1
InChIInChI=1S/C24H29N5O2S/c1-18(30)26-20-10-8-19(9-11-20)23(31)25-12-4-5-13-28-14-16-29(17-15-28)24-21-6-2-3-7-22(21)27-32-24/h2-3,6-11H,4-5,12-17H2,1H3,(H,25,31)(H,26,30)
InChIKeyOQWZZNMOWGXOHC-UHFFFAOYSA-N
XLogP3.59
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.60
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-acetamido-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide;hydrochloride
CID 45259400
2-amino-N-[4-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide;hydrochloride
CID 67835617
tert-butyl N-[4-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butylcarbamoyl]phenyl]carbamate;hydrochloride
CID 45259399
N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]pyridine-4-carboxamide
CID 10620723
3-[4-(2-chloroethyl)piperazin-1-yl]-2,1-benzothiazole
CID 66353229
N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442914
4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 134036907
2-(4-acetamidophenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 31413720
N-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]-4-(trifluoromethyl)benzamide
CID 44532094
3-acetamido-N-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]benzamide
CID 69099474
N-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]naphthalene-2-carboxamide
CID 44532093
N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]pyridine-2-carboxamide;hydrochloride
CID 67841314

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[4-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide?
The IUPAC name of 4-acetamido-N-[4-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide (CID 67835646) is 4-acetamido-N-[4-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[4-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide?
The canonical SMILES for 4-acetamido-N-[4-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide is CC(=O)Nc1ccc(C(=O)NCCCCN2CCN(c3snc4ccccc34)CC2)cc1.
What is the InChIKey of 4-acetamido-N-[4-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide?
The InChIKey is OQWZZNMOWGXOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2S/c1-18(30)26-20-10-8-19(9-11-20)23(31)25-12-4-5-13-28-14-16-29(17-15-28)24-21-6-2-3-7-22(21)27-32-24/h2-3,6-11H,4-5,12-17H2,1H3,(H,25,31)(H,26,30).
What are the key properties of 4-acetamido-N-[4-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide?
4-acetamido-N-[4-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide has a molecular weight of 451.60 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[4-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide is sourced from PubChem (CID 67835646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).