N-(1,3-benzothiazol-2-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide;hydrochloride

C22H26ClFN4OS — CID 122186391

IUPACN-(1,3-benzothiazol-2-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide;hydrochloride
SMILESCl.O=C(CCCCN1CCN(c2ccccc2F)CC1)Nc1nc2ccccc2s1
InChIInChI=1S/C22H25FN4OS.ClH/c23-17-7-1-3-9-19(17)27-15-13-26(14-16-27)12-6-5-11-21(28)25-22-24-18-8-2-4-10-20(18)29-22;/h1-4,7-10H,5-6,11-16H2,(H,24,25,28);1H
InChIKeyXVEYYOZTUPWVEQ-UHFFFAOYSA-N
MW449.00 g/mol
LogP4.79
Rot. Bonds7

About N-(1,3-benzothiazol-2-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide;hydrochloride

N-(1,3-benzothiazol-2-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide;hydrochloride (PubChem CID 122186391) has the molecular formula C22H26ClFN4OS and a molecular weight of 449.00 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide;hydrochloride.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide;hydrochloride
PubChem CID122186391
Molecular FormulaC22H26ClFN4OS
Molecular Weight449.00 g/mol
Exact Mass448.15
IUPAC NameN-(1,3-benzothiazol-2-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide;hydrochloride
SMILESCl.O=C(CCCCN1CCN(c2ccccc2F)CC1)Nc1nc2ccccc2s1
InChIInChI=1S/C22H25FN4OS.ClH/c23-17-7-1-3-9-19(17)27-15-13-26(14-16-27)12-6-5-11-21(28)25-22-24-18-8-2-4-10-20(18)29-22;/h1-4,7-10H,5-6,11-16H2,(H,24,25,28);1H
InChIKeyXVEYYOZTUPWVEQ-UHFFFAOYSA-N
XLogP4.79
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.00
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1,3-benzothiazol-2-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzothiazol-2-yl)-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentanamide
CID 122186392
6-(1,3-benzothiazol-2-ylamino)-6-oxohexanoate
CID 2063722
N-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide
CID 79198900
5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide
CID 123618863
1-(1,3-benzothiazol-2-yl)-3-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]urea
CID 142413686
N-(1,3-benzothiazol-2-yl)-4-trimethylsilylbutanamide
CID 53439401
N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18093634
N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide
CID 788494
bis((E)-but-2-enedioic acid);N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-amine
CID 10189257
N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide
CID 46289699
5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 76905940
2-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 71901166

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide;hydrochloride?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide;hydrochloride (CID 122186391) is N-(1,3-benzothiazol-2-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide;hydrochloride.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide;hydrochloride?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide;hydrochloride is Cl.O=C(CCCCN1CCN(c2ccccc2F)CC1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide;hydrochloride?
The InChIKey is XVEYYOZTUPWVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4OS.ClH/c23-17-7-1-3-9-19(17)27-15-13-26(14-16-27)12-6-5-11-21(28)25-22-24-18-8-2-4-10-20(18)29-22;/h1-4,7-10H,5-6,11-16H2,(H,24,25,28);1H.
What are the key properties of N-(1,3-benzothiazol-2-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide;hydrochloride?
N-(1,3-benzothiazol-2-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide;hydrochloride has a molecular weight of 449.00 g/mol, XLogP of 4.79, 7 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)-5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide;hydrochloride is sourced from PubChem (CID 122186391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).