N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

C22H20FN5O2S — CID 122438681

IUPACN-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1nnc(-c2ccccc2C(=O)N[C@H]2CCC[C@@H]2Nc2nc3ccc(F)cc3s2)o1
InChIInChI=1S/C22H20FN5O2S/c1-12-27-28-21(30-12)15-6-3-2-5-14(15)20(29)24-16-7-4-8-17(16)25-22-26-18-10-9-13(23)11-19(18)31-22/h2-3,5-6,9-11,16-17H,4,7-8H2,1H3,(H,24,29)(H,25,26)/t16-,17-/m0/s1
InChIKeyRIWNLQPLQZPPPU-IRXDYDNUSA-N
MW437.50 g/mol
LogP4.56
Rot. Bonds5

About N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 122438681) has the molecular formula C22H20FN5O2S and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID122438681
Molecular FormulaC22H20FN5O2S
Molecular Weight437.50 g/mol
Exact Mass437.13
IUPAC NameN-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1nnc(-c2ccccc2C(=O)N[C@H]2CCC[C@@H]2Nc2nc3ccc(F)cc3s2)o1
InChIInChI=1S/C22H20FN5O2S/c1-12-27-28-21(30-12)15-6-3-2-5-14(15)20(29)24-16-7-4-8-17(16)25-22-26-18-10-9-13(23)11-19(18)31-22/h2-3,5-6,9-11,16-17H,4,7-8H2,1H3,(H,24,29)(H,25,26)/t16-,17-/m0/s1
InChIKeyRIWNLQPLQZPPPU-IRXDYDNUSA-N
XLogP4.56
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S,2S)-2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-N-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 118034933
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-(6-fluorobenzo[d]thiazol-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
CID 7110058
N-(1,3-Benzothiazol-2-YL)-2-({5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-YL}sulfanyl)acetamide
CID 3184998
N-(6-fluorobenzo[d]thiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine
CID 7110066
2-[3-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]propylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 76323995
2-[3-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]propylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 76327549
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 8840364
[(3R)-3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]pyrrolidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 42641390
[(3R)-3-[(4-fluoro-1,3-benzothiazol-2-yl)amino]pyrrolidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 42641504
[(3R)-3-[(5,7-difluoro-1,3-benzothiazol-2-yl)amino]pyrrolidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 42641616
5-[3-(dimethylamino)phenyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 73387736

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (CID 122438681) is N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is Cc1nnc(-c2ccccc2C(=O)N[C@H]2CCC[C@@H]2Nc2nc3ccc(F)cc3s2)o1.
What is the InChIKey of N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is RIWNLQPLQZPPPU-IRXDYDNUSA-N. The full InChI is InChI=1S/C22H20FN5O2S/c1-12-27-28-21(30-12)15-6-3-2-5-14(15)20(29)24-16-7-4-8-17(16)25-22-26-18-10-9-13(23)11-19(18)31-22/h2-3,5-6,9-11,16-17H,4,7-8H2,1H3,(H,24,29)(H,25,26)/t16-,17-/m0/s1.
What are the key properties of N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 437.50 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 122438681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).