(5-ethyl-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone

C18H13N3O2S — CID 144589062

IUPAC(5-ethyl-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone
SMILESCCc1nnc(C(=O)c2nc3ccc(-c4ccccc4)cc3s2)o1
InChIInChI=1S/C18H13N3O2S/c1-2-15-20-21-17(23-15)16(22)18-19-13-9-8-12(10-14(13)24-18)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyQSGBOISYADPTJC-UHFFFAOYSA-N
MW335.39 g/mol
LogP4.14
Rot. Bonds4

About (5-ethyl-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone

(5-ethyl-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone (PubChem CID 144589062) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is (5-ethyl-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone.

Molecular Properties

Compound Name(5-ethyl-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone
PubChem CID144589062
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name(5-ethyl-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone
SMILESCCc1nnc(C(=O)c2nc3ccc(-c4ccccc4)cc3s2)o1
InChIInChI=1S/C18H13N3O2S/c1-2-15-20-21-17(23-15)16(22)18-19-13-9-8-12(10-14(13)24-18)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyQSGBOISYADPTJC-UHFFFAOYSA-N
XLogP4.14
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
4-methyl-N-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 90047716
2-(6-phenyl-1,3-benzothiazole-2-carbonyl)-5-[(1R)-1-(sulfinoamino)ethyl]-1,3,4-oxadiazole
CID 118322778
[5-[1-(2,2-dimethylpropyl)azetidin-3-yl]-1,3,4-oxadiazol-2-yl]-(6-phenyl-1,3-benzothiazol-2-yl)methanone
CID 90057970
(2S)-2-[methyl-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]amino]cyclopentan-1-one
CID 118473136
[5-[1-(4-methylphenyl)piperidin-4-yl]-1,3,4-oxadiazol-2-yl]-(6-phenyl-1,3-benzothiazol-2-yl)methanone
CID 118473106
[6-(4-fluorophenyl)-1,3-benzothiazol-2-yl]-[5-(2-phenylethylamino)-1,3,4-oxadiazol-2-yl]methanone
CID 118322813
[5-(oxolan-3-ylamino)-1,3,4-oxadiazol-2-yl]-(6-phenyl-1,3-benzothiazol-2-yl)methanone
CID 118322830
(3S)-3-[[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]amino]oxolan-2-one
CID 118461337
3-[benzyl-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
CID 90047699
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
N-(2-cyanoethyl)-5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 70801145

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone?
The IUPAC name of (5-ethyl-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone (CID 144589062) is (5-ethyl-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone.
What is the SMILES notation for (5-ethyl-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone?
The canonical SMILES for (5-ethyl-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone is CCc1nnc(C(=O)c2nc3ccc(-c4ccccc4)cc3s2)o1.
What is the InChIKey of (5-ethyl-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone?
The InChIKey is QSGBOISYADPTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c1-2-15-20-21-17(23-15)16(22)18-19-13-9-8-12(10-14(13)24-18)11-6-4-3-5-7-11/h3-10H,2H2,1H3.
What are the key properties of (5-ethyl-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone?
(5-ethyl-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone has a molecular weight of 335.39 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,3,4-oxadiazol-2-yl)-(6-phenyl-1,3-benzothiazol-2-yl)methanone is sourced from PubChem (CID 144589062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).