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

C20H20FN3OS — CID 122438667

IUPACN-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@H]2CCC[C@H]2Nc2nc3ccc(F)cc3s2)c1
InChIInChI=1S/C20H20FN3OS/c1-12-4-2-5-13(10-12)19(25)22-15-6-3-7-16(15)23-20-24-17-9-8-14(21)11-18(17)26-20/h2,4-5,8-11,15-16H,3,6-7H2,1H3,(H,22,25)(H,23,24)/t15-,16+/m0/s1
InChIKeyGKCWPRZGTXKOLG-JKSUJKDBSA-N
MW369.47 g/mol
LogP4.51
Rot. Bonds4

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

N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methylbenzamide (PubChem CID 122438667) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methylbenzamide
PubChem CID122438667
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC NameN-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@H]2CCC[C@H]2Nc2nc3ccc(F)cc3s2)c1
InChIInChI=1S/C20H20FN3OS/c1-12-4-2-5-13(10-12)19(25)22-15-6-3-7-16(15)23-20-24-17-9-8-14(21)11-18(17)26-20/h2,4-5,8-11,15-16H,3,6-7H2,1H3,(H,22,25)(H,23,24)/t15-,16+/m0/s1
InChIKeyGKCWPRZGTXKOLG-JKSUJKDBSA-N
XLogP4.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methylbenzamide
CID 122438846
2-chloro-N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide
CID 122438892
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
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
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,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2,5-dimethoxybenzamide
CID 122438688
3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide
CID 1011123
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
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methylbenzamide?
The IUPAC name of N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methylbenzamide (CID 122438667) is N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methylbenzamide.
What is the SMILES notation for N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methylbenzamide?
The canonical SMILES for N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methylbenzamide is Cc1cccc(C(=O)N[C@H]2CCC[C@H]2Nc2nc3ccc(F)cc3s2)c1.
What is the InChIKey of N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methylbenzamide?
The InChIKey is GKCWPRZGTXKOLG-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-12-4-2-5-13(10-12)19(25)22-15-6-3-7-16(15)23-20-24-17-9-8-14(21)11-18(17)26-20/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,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methylbenzamide?
N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methylbenzamide has a molecular weight of 369.47 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methylbenzamide is sourced from PubChem (CID 122438667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).