N-cyclopropyl-2-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]acetamide

C21H16N4O3S — CID 90058022

IUPACN-cyclopropyl-2-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESO=C(Cc1nnc(C(=O)c2nc3ccc(-c4ccccc4)cc3s2)o1)NC1CC1
InChIInChI=1S/C21H16N4O3S/c26-17(22-14-7-8-14)11-18-24-25-20(28-18)19(27)21-23-15-9-6-13(10-16(15)29-21)12-4-2-1-3-5-12/h1-6,9-10,14H,7-8,11H2,(H,22,26)
InChIKeyULVXSQSIWUOVRD-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.40
Rot. Bonds6

About N-cyclopropyl-2-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]acetamide

N-cyclopropyl-2-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 90058022) has the molecular formula C21H16N4O3S and a molecular weight of 404.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID90058022
Molecular FormulaC21H16N4O3S
Molecular Weight404.45 g/mol
Exact Mass404.09
IUPAC NameN-cyclopropyl-2-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESO=C(Cc1nnc(C(=O)c2nc3ccc(-c4ccccc4)cc3s2)o1)NC1CC1
InChIInChI=1S/C21H16N4O3S/c26-17(22-14-7-8-14)11-18-24-25-20(28-18)19(27)21-23-15-9-6-13(10-16(15)29-21)12-4-2-1-3-5-12/h1-6,9-10,14H,7-8,11H2,(H,22,26)
InChIKeyULVXSQSIWUOVRD-UHFFFAOYSA-N
XLogP3.40
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 90058022) is N-cyclopropyl-2-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]acetamide is O=C(Cc1nnc(C(=O)c2nc3ccc(-c4ccccc4)cc3s2)o1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is ULVXSQSIWUOVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3S/c26-17(22-14-7-8-14)11-18-24-25-20(28-18)19(27)21-23-15-9-6-13(10-16(15)29-21)12-4-2-1-3-5-12/h1-6,9-10,14H,7-8,11H2,(H,22,26).
What are the key properties of N-cyclopropyl-2-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]acetamide?
N-cyclopropyl-2-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 404.45 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 90058022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).