2-[5-[[6-(1-benzothiophen-2-yl)-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]-N-(1-cyanocyclopropyl)acetamide

C24H17N5O2S2 — CID 70801348

IUPAC2-[5-[[6-(1-benzothiophen-2-yl)-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]-N-(1-cyanocyclopropyl)acetamide
SMILESN#CC1(NC(=O)Cc2nnc(Cc3nc4ccc(-c5cc6ccccc6s5)cc4s3)o2)CC1
InChIInChI=1S/C24H17N5O2S2/c25-13-24(7-8-24)27-20(30)11-21-28-29-22(31-21)12-23-26-16-6-5-15(10-19(16)33-23)18-9-14-3-1-2-4-17(14)32-18/h1-6,9-10H,7-8,11-12H2,(H,27,30)
InChIKeyQZTJAMVYRXZOON-UHFFFAOYSA-N
MW471.57 g/mol
LogP4.87
Rot. Bonds6

About 2-[5-[[6-(1-benzothiophen-2-yl)-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]-N-(1-cyanocyclopropyl)acetamide

2-[5-[[6-(1-benzothiophen-2-yl)-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]-N-(1-cyanocyclopropyl)acetamide (PubChem CID 70801348) has the molecular formula C24H17N5O2S2 and a molecular weight of 471.57 g/mol. Its IUPAC name is 2-[5-[[6-(1-benzothiophen-2-yl)-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]-N-(1-cyanocyclopropyl)acetamide.

Molecular Properties

Compound Name2-[5-[[6-(1-benzothiophen-2-yl)-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]-N-(1-cyanocyclopropyl)acetamide
PubChem CID70801348
Molecular FormulaC24H17N5O2S2
Molecular Weight471.57 g/mol
Exact Mass471.08
IUPAC Name2-[5-[[6-(1-benzothiophen-2-yl)-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]-N-(1-cyanocyclopropyl)acetamide
SMILESN#CC1(NC(=O)Cc2nnc(Cc3nc4ccc(-c5cc6ccccc6s5)cc4s3)o2)CC1
InChIInChI=1S/C24H17N5O2S2/c25-13-24(7-8-24)27-20(30)11-21-28-29-22(31-21)12-23-26-16-6-5-15(10-19(16)33-23)18-9-14-3-1-2-4-17(14)32-18/h1-6,9-10H,7-8,11-12H2,(H,27,30)
InChIKeyQZTJAMVYRXZOON-UHFFFAOYSA-N
XLogP4.87
TPSA104.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-[[6-(1-benzothiophen-2-yl)-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]-N-(1-cyanocyclopropyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[6-(1-benzothiophen-2-yl)-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]-N-(1-cyanocyclopropyl)acetamide?
The IUPAC name of 2-[5-[[6-(1-benzothiophen-2-yl)-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]-N-(1-cyanocyclopropyl)acetamide (CID 70801348) is 2-[5-[[6-(1-benzothiophen-2-yl)-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]-N-(1-cyanocyclopropyl)acetamide.
What is the SMILES notation for 2-[5-[[6-(1-benzothiophen-2-yl)-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]-N-(1-cyanocyclopropyl)acetamide?
The canonical SMILES for 2-[5-[[6-(1-benzothiophen-2-yl)-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]-N-(1-cyanocyclopropyl)acetamide is N#CC1(NC(=O)Cc2nnc(Cc3nc4ccc(-c5cc6ccccc6s5)cc4s3)o2)CC1.
What is the InChIKey of 2-[5-[[6-(1-benzothiophen-2-yl)-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]-N-(1-cyanocyclopropyl)acetamide?
The InChIKey is QZTJAMVYRXZOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O2S2/c25-13-24(7-8-24)27-20(30)11-21-28-29-22(31-21)12-23-26-16-6-5-15(10-19(16)33-23)18-9-14-3-1-2-4-17(14)32-18/h1-6,9-10H,7-8,11-12H2,(H,27,30).
What are the key properties of 2-[5-[[6-(1-benzothiophen-2-yl)-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]-N-(1-cyanocyclopropyl)acetamide?
2-[5-[[6-(1-benzothiophen-2-yl)-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]-N-(1-cyanocyclopropyl)acetamide has a molecular weight of 471.57 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[6-(1-benzothiophen-2-yl)-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]-N-(1-cyanocyclopropyl)acetamide is sourced from PubChem (CID 70801348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).