2-chloro-N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide

C19H17ClFN3OS — CID 122438892

IUPAC2-chloro-N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide
SMILESO=C(N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)c1ccccc1Cl
InChIInChI=1S/C19H17ClFN3OS/c20-13-5-2-1-4-12(13)18(25)22-14-6-3-7-15(14)23-19-24-16-9-8-11(21)10-17(16)26-19/h1-2,4-5,8-10,14-15H,3,6-7H2,(H,22,25)(H,23,24)/t14-,15-/m0/s1
InChIKeyWCSKESAUGFYFQM-GJZGRUSLSA-N
MW389.88 g/mol
LogP4.85
Rot. Bonds4

About 2-chloro-N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide

2-chloro-N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide (PubChem CID 122438892) has the molecular formula C19H17ClFN3OS and a molecular weight of 389.88 g/mol. Its IUPAC name is 2-chloro-N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide
PubChem CID122438892
Molecular FormulaC19H17ClFN3OS
Molecular Weight389.88 g/mol
Exact Mass389.08
IUPAC Name2-chloro-N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide
SMILESO=C(N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)c1ccccc1Cl
InChIInChI=1S/C19H17ClFN3OS/c20-13-5-2-1-4-12(13)18(25)22-14-6-3-7-15(14)23-19-24-16-9-8-11(21)10-17(16)26-19/h1-2,4-5,8-10,14-15H,3,6-7H2,(H,22,25)(H,23,24)/t14-,15-/m0/s1
InChIKeyWCSKESAUGFYFQM-GJZGRUSLSA-N
XLogP4.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide 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

2-(difluoromethoxy)-N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide
CID 122438808
2-(difluoromethoxy)-N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide
CID 122438839
3-fluoro-N-[(1R,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-methoxybenzamide
CID 122438742
5-fluoro-N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-methoxybenzamide
CID 122438719
N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-(1,2,4-triazol-1-yl)benzamide
CID 122438792
N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-imidazol-1-ylbenzamide
CID 122438696
N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 122438757
N-[(1R,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methylbenzamide
CID 122438846
N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methylbenzamide
CID 122438667
N-[(1R,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2,5-dimethoxybenzamide
CID 122438688
N-[(1S,2R)-4,4-difluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide
CID 131709623
N-[(2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-N-methyl-2-pyrimidin-2-ylbenzamide
CID 144829901

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide?
The IUPAC name of 2-chloro-N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide (CID 122438892) is 2-chloro-N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide is O=C(N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide?
The InChIKey is WCSKESAUGFYFQM-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H17ClFN3OS/c20-13-5-2-1-4-12(13)18(25)22-14-6-3-7-15(14)23-19-24-16-9-8-11(21)10-17(16)26-19/h1-2,4-5,8-10,14-15H,3,6-7H2,(H,22,25)(H,23,24)/t14-,15-/m0/s1.
What are the key properties of 2-chloro-N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide?
2-chloro-N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide has a molecular weight of 389.88 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide is sourced from PubChem (CID 122438892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).