N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C19H19ClFN3OS — CID 119778655

IUPACN-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)Nc1ccc(F)cc1-c1nc2ccccc2s1
InChIInChI=1S/C19H18FN3OS.ClH/c20-12-7-8-15(22-18(24)11-13-4-3-9-21-13)14(10-12)19-23-16-5-1-2-6-17(16)25-19;/h1-2,5-8,10,13,21H,3-4,9,11H2,(H,22,24);1H
InChIKeyIXMUTPXOGBEAKJ-UHFFFAOYSA-N
MW391.90 g/mol
LogP4.60
Rot. Bonds4

About N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119778655) has the molecular formula C19H19ClFN3OS and a molecular weight of 391.90 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119778655
Molecular FormulaC19H19ClFN3OS
Molecular Weight391.90 g/mol
Exact Mass391.09
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)Nc1ccc(F)cc1-c1nc2ccccc2s1
InChIInChI=1S/C19H18FN3OS.ClH/c20-12-7-8-15(22-18(24)11-13-4-3-9-21-13)14(10-12)19-23-16-5-1-2-6-17(16)25-19;/h1-2,5-8,10,13,21H,3-4,9,11H2,(H,22,24);1H
InChIKeyIXMUTPXOGBEAKJ-UHFFFAOYSA-N
XLogP4.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide;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-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-2-thiomorpholin-3-ylacetamide
CID 119938914
N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-3-piperidin-3-ylbutanamide
CID 119778650
N-[4-fluoro-2-(propan-2-ylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119873541
N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]benzamide
CID 162385471
1-N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-3-N-ethylpiperidine-1,3-dicarboxamide
CID 86897139
N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119702559
3-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-1-(2-hydroxyethyl)-1-methylurea
CID 111453520
N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-4-(trifluoromethyl)benzamide
CID 162385461
N-[2-(3-fluorophenoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119745790
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide
CID 119687328
N-[2-(1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119270096
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119778655) is N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is Cl.O=C(CC1CCCN1)Nc1ccc(F)cc1-c1nc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is IXMUTPXOGBEAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS.ClH/c20-12-7-8-15(22-18(24)11-13-4-3-9-21-13)14(10-12)19-23-16-5-1-2-6-17(16)25-19;/h1-2,5-8,10,13,21H,3-4,9,11H2,(H,22,24);1H.
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 391.90 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119778655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).