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

C20H20FN3O2S — CID 122438928

IUPACN-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@H]2CCC[C@@H]2Nc2nc3ccc(F)cc3s2)c1
InChIInChI=1S/C20H20FN3O2S/c1-26-14-5-2-4-12(10-14)19(25)22-15-6-3-7-16(15)23-20-24-17-9-8-13(21)11-18(17)27-20/h2,4-5,8-11,15-16H,3,6-7H2,1H3,(H,22,25)(H,23,24)/t15-,16-/m0/s1
InChIKeyHAHXZXSTVIYQKX-HOTGVXAUSA-N
MW385.46 g/mol
LogP4.21
Rot. Bonds5

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

N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methoxybenzamide (PubChem CID 122438928) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methoxybenzamide
PubChem CID122438928
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC NameN-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@H]2CCC[C@@H]2Nc2nc3ccc(F)cc3s2)c1
InChIInChI=1S/C20H20FN3O2S/c1-26-14-5-2-4-12(10-14)19(25)22-15-6-3-7-16(15)23-20-24-17-9-8-13(21)11-18(17)27-20/h2,4-5,8-11,15-16H,3,6-7H2,1H3,(H,22,25)(H,23,24)/t15-,16-/m0/s1
InChIKeyHAHXZXSTVIYQKX-HOTGVXAUSA-N
XLogP4.21
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methoxybenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methoxybenzamide?
The IUPAC name of N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methoxybenzamide (CID 122438928) is N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methoxybenzamide?
The canonical SMILES for N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methoxybenzamide is COc1cccc(C(=O)N[C@H]2CCC[C@@H]2Nc2nc3ccc(F)cc3s2)c1.
What is the InChIKey of N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methoxybenzamide?
The InChIKey is HAHXZXSTVIYQKX-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-26-14-5-2-4-12(10-14)19(25)22-15-6-3-7-16(15)23-20-24-17-9-8-13(21)11-18(17)27-20/h2,4-5,8-11,15-16H,3,6-7H2,1H3,(H,22,25)(H,23,24)/t15-,16-/m0/s1.
What are the key properties of N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methoxybenzamide?
N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methoxybenzamide has a molecular weight of 385.46 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methoxybenzamide is sourced from PubChem (CID 122438928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).