[5-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethylamino]-1,3,4-oxadiazol-2-yl]-[6-(4-fluorophenyl)-1,3-benzothiazol-2-yl]methanone;molecular hydrogen

C24H20F2N4O2S — CID 144589080

IUPAC[5-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethylamino]-1,3,4-oxadiazol-2-yl]-[6-(4-fluorophenyl)-1,3-benzothiazol-2-yl]methanone;molecular hydrogen
SMILESO=C(c1nnc(NCCC2=CCCC=C2F)o1)c1nc2ccc(-c3ccc(F)cc3)cc2s1.[H][H]
InChIInChI=1S/C24H18F2N4O2S.H2/c25-17-8-5-14(6-9-17)16-7-10-19-20(13-16)33-23(28-19)21(31)22-29-30-24(32-22)27-12-11-15-3-1-2-4-18(15)26;/h3-10,13H,1-2,11-12H2,(H,27,30);1H
InChIKeyCNJUTCHUVSKMEP-UHFFFAOYSA-N
MW466.51 g/mol
LogP6.34
Rot. Bonds7

About [5-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethylamino]-1,3,4-oxadiazol-2-yl]-[6-(4-fluorophenyl)-1,3-benzothiazol-2-yl]methanone;molecular hydrogen

[5-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethylamino]-1,3,4-oxadiazol-2-yl]-[6-(4-fluorophenyl)-1,3-benzothiazol-2-yl]methanone;molecular hydrogen (PubChem CID 144589080) has the molecular formula C24H20F2N4O2S and a molecular weight of 466.51 g/mol. Its IUPAC name is [5-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethylamino]-1,3,4-oxadiazol-2-yl]-[6-(4-fluorophenyl)-1,3-benzothiazol-2-yl]methanone;molecular hydrogen.

Molecular Properties

Compound Name[5-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethylamino]-1,3,4-oxadiazol-2-yl]-[6-(4-fluorophenyl)-1,3-benzothiazol-2-yl]methanone;molecular hydrogen
PubChem CID144589080
Molecular FormulaC24H20F2N4O2S
Molecular Weight466.51 g/mol
Exact Mass466.13
IUPAC Name[5-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethylamino]-1,3,4-oxadiazol-2-yl]-[6-(4-fluorophenyl)-1,3-benzothiazol-2-yl]methanone;molecular hydrogen
SMILESO=C(c1nnc(NCCC2=CCCC=C2F)o1)c1nc2ccc(-c3ccc(F)cc3)cc2s1.[H][H]
InChIInChI=1S/C24H18F2N4O2S.H2/c25-17-8-5-14(6-9-17)16-7-10-19-20(13-16)33-23(28-19)21(31)22-29-30-24(32-22)27-12-11-15-3-1-2-4-18(15)26;/h3-10,13H,1-2,11-12H2,(H,27,30);1H
InChIKeyCNJUTCHUVSKMEP-UHFFFAOYSA-N
XLogP6.34
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.51
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethylamino]-1,3,4-oxadiazol-2-yl]-[6-(4-fluorophenyl)-1,3-benzothiazol-2-yl]methanone;molecular hydrogen with MolForge

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Related Compounds

[6-(4-fluorophenyl)-1,3-benzothiazol-2-yl]-[5-(2-phenylethylamino)-1,3,4-oxadiazol-2-yl]methanone
CID 118322813
methyl (2S)-2-[[5-[6-(4-fluorophenyl)-1,3-benzothiazole-2-carbonyl]-1,3,4-oxadiazol-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 118322796
[5-(oxolan-3-ylamino)-1,3,4-oxadiazol-2-yl]-(6-phenyl-1,3-benzothiazol-2-yl)methanone
CID 118322830
tris(5-[[5-[6-(4-fluorophenyl)-1,3-benzothiazole-2-carbonyl]-1,3,4-oxadiazol-2-yl]methyl]-5-methylpyrrolidine-2,4-dione);tris(5-methyl-5-[[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2,4-dione)
CID 160961360
(5-ethyl-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone
CID 144589062
4-methyl-N-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 90047716
4-[2-[5-[(2-oxopyrrolidin-3-yl)amino]-1,3,4-oxadiazole-2-carbonyl]-1,3-benzothiazol-6-yl]benzamide
CID 118322799
(3S)-3-[[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]amino]oxolan-2-one
CID 118461337
4-[2-[5-[(2-oxopyrrolidin-3-yl)amino]-1,3,4-oxadiazole-2-carbonyl]-1,3-benzothiazol-6-yl]benzenesulfonamide
CID 118322784
3-[[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]pyrrolidin-2-one
CID 90047695
[5-[1-(2,2-dimethylpropyl)azetidin-3-yl]-1,3,4-oxadiazol-2-yl]-(6-phenyl-1,3-benzothiazol-2-yl)methanone
CID 90057970
3-[benzyl-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
CID 90047699

Frequently Asked Questions

What is the IUPAC name of [5-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethylamino]-1,3,4-oxadiazol-2-yl]-[6-(4-fluorophenyl)-1,3-benzothiazol-2-yl]methanone;molecular hydrogen?
The IUPAC name of [5-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethylamino]-1,3,4-oxadiazol-2-yl]-[6-(4-fluorophenyl)-1,3-benzothiazol-2-yl]methanone;molecular hydrogen (CID 144589080) is [5-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethylamino]-1,3,4-oxadiazol-2-yl]-[6-(4-fluorophenyl)-1,3-benzothiazol-2-yl]methanone;molecular hydrogen.
What is the SMILES notation for [5-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethylamino]-1,3,4-oxadiazol-2-yl]-[6-(4-fluorophenyl)-1,3-benzothiazol-2-yl]methanone;molecular hydrogen?
The canonical SMILES for [5-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethylamino]-1,3,4-oxadiazol-2-yl]-[6-(4-fluorophenyl)-1,3-benzothiazol-2-yl]methanone;molecular hydrogen is O=C(c1nnc(NCCC2=CCCC=C2F)o1)c1nc2ccc(-c3ccc(F)cc3)cc2s1.[H][H].
What is the InChIKey of [5-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethylamino]-1,3,4-oxadiazol-2-yl]-[6-(4-fluorophenyl)-1,3-benzothiazol-2-yl]methanone;molecular hydrogen?
The InChIKey is CNJUTCHUVSKMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O2S.H2/c25-17-8-5-14(6-9-17)16-7-10-19-20(13-16)33-23(28-19)21(31)22-29-30-24(32-22)27-12-11-15-3-1-2-4-18(15)26;/h3-10,13H,1-2,11-12H2,(H,27,30);1H.
What are the key properties of [5-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethylamino]-1,3,4-oxadiazol-2-yl]-[6-(4-fluorophenyl)-1,3-benzothiazol-2-yl]methanone;molecular hydrogen?
[5-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethylamino]-1,3,4-oxadiazol-2-yl]-[6-(4-fluorophenyl)-1,3-benzothiazol-2-yl]methanone;molecular hydrogen has a molecular weight of 466.51 g/mol, XLogP of 6.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethylamino]-1,3,4-oxadiazol-2-yl]-[6-(4-fluorophenyl)-1,3-benzothiazol-2-yl]methanone;molecular hydrogen is sourced from PubChem (CID 144589080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).