N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-benzothiazole-6-carboxamide

C22H15N5O2S — CID 86263821

IUPACN-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2cccnc2)no1)c1ccc2ncsc2c1
InChIInChI=1S/C22H15N5O2S/c28-22(15-7-8-18-19(10-15)30-13-24-18)25-17-6-2-1-4-14(17)11-20-26-21(27-29-20)16-5-3-9-23-12-16/h1-10,12-13H,11H2,(H,25,28)
InChIKeyWXUCAUXEMNXJHE-UHFFFAOYSA-N
MW413.46 g/mol
LogP4.58
Rot. Bonds5

About N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-benzothiazole-6-carboxamide

N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 86263821) has the molecular formula C22H15N5O2S and a molecular weight of 413.46 g/mol. Its IUPAC name is N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-benzothiazole-6-carboxamide
PubChem CID86263821
Molecular FormulaC22H15N5O2S
Molecular Weight413.46 g/mol
Exact Mass413.09
IUPAC NameN-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2cccnc2)no1)c1ccc2ncsc2c1
InChIInChI=1S/C22H15N5O2S/c28-22(15-7-8-18-19(10-15)30-13-24-18)25-17-6-2-1-4-14(17)11-20-26-21(27-29-20)16-5-3-9-23-12-16/h1-10,12-13H,11H2,(H,25,28)
InChIKeyWXUCAUXEMNXJHE-UHFFFAOYSA-N
XLogP4.58
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,5-dimethylphenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90562669
1-methyl-3-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide
CID 71800507
N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(trifluoromethyl)benzamide
CID 90562478
2,3,4-trifluoro-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90562645
N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 90562395
2-nitro-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90562473
1-(2-ethoxyphenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90562672
1-(4-fluorophenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 71800527
1-prop-2-enyl-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90562689
5-methyl-1-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-4-carboxamide
CID 90562411
2-ethoxy-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 90562483
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazine-2-carboxamide
CID 90562990

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-benzothiazole-6-carboxamide (CID 86263821) is N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-benzothiazole-6-carboxamide is O=C(Nc1ccccc1Cc1nc(-c2cccnc2)no1)c1ccc2ncsc2c1.
What is the InChIKey of N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is WXUCAUXEMNXJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O2S/c28-22(15-7-8-18-19(10-15)30-13-24-18)25-17-6-2-1-4-14(17)11-20-26-21(27-29-20)16-5-3-9-23-12-16/h1-10,12-13H,11H2,(H,25,28).
What are the key properties of N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-benzothiazole-6-carboxamide?
N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 413.46 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 86263821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).