N-(1,3-benzothiazol-2-yl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide

C21H15N5OS — CID 30867708

IUPACN-(1,3-benzothiazol-2-yl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(-c2ccccn2)nc2ccccc21)Nc1nc2ccccc2s1
InChIInChI=1S/C21H15N5OS/c27-19(25-21-24-15-8-2-4-11-18(15)28-21)13-26-17-10-3-1-7-14(17)23-20(26)16-9-5-6-12-22-16/h1-12H,13H2,(H,24,25,27)
InChIKeyHBYOXDCAMCADNF-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.35
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide

N-(1,3-benzothiazol-2-yl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide (PubChem CID 30867708) has the molecular formula C21H15N5OS and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
PubChem CID30867708
Molecular FormulaC21H15N5OS
Molecular Weight385.45 g/mol
Exact Mass385.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(-c2ccccn2)nc2ccccc21)Nc1nc2ccccc2s1
InChIInChI=1S/C21H15N5OS/c27-19(25-21-24-15-8-2-4-11-18(15)28-21)13-26-17-10-3-1-7-14(17)23-20(26)16-9-5-6-12-22-16/h1-12H,13H2,(H,24,25,27)
InChIKeyHBYOXDCAMCADNF-UHFFFAOYSA-N
XLogP4.35
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(pyridin-2-ylmethylamino)acetamide
CID 17066509
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4879221
N-(benzylideneamino)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 3673852
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 46970759
1-(1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea
CID 110491805
N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide
CID 788494
N-(1,3-benzothiazol-2-yl)-2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46925503
N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 8571610
2-(2-pyridin-2-ylbenzimidazol-1-yl)acetaldehyde
CID 89031622
N-(1,3-benzothiazol-2-yl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 43952352
N-(1,3-benzothiazol-2-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 5302441
3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120469

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide (CID 30867708) is N-(1,3-benzothiazol-2-yl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide is O=C(Cn1c(-c2ccccn2)nc2ccccc21)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide?
The InChIKey is HBYOXDCAMCADNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5OS/c27-19(25-21-24-15-8-2-4-11-18(15)28-21)13-26-17-10-3-1-7-14(17)23-20(26)16-9-5-6-12-22-16/h1-12H,13H2,(H,24,25,27).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide has a molecular weight of 385.45 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 30867708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).