2-(benzimidazol-1-yl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide

C21H15N5OS — CID 121024411

IUPAC2-(benzimidazol-1-yl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
SMILESO=C(Cn1cnc2ccccc21)Nc1ccc(-c2nc3cccnc3s2)cc1
InChIInChI=1S/C21H15N5OS/c27-19(12-26-13-23-16-4-1-2-6-18(16)26)24-15-9-7-14(8-10-15)20-25-17-5-3-11-22-21(17)28-20/h1-11,13H,12H2,(H,24,27)
InChIKeyAVBDKQUWVYQANL-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.35
Rot. Bonds4

About 2-(benzimidazol-1-yl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide

2-(benzimidazol-1-yl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide (PubChem CID 121024411) has the molecular formula C21H15N5OS and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
PubChem CID121024411
Molecular FormulaC21H15N5OS
Molecular Weight385.45 g/mol
Exact Mass385.10
IUPAC Name2-(benzimidazol-1-yl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
SMILESO=C(Cn1cnc2ccccc21)Nc1ccc(-c2nc3cccnc3s2)cc1
InChIInChI=1S/C21H15N5OS/c27-19(12-26-13-23-16-4-1-2-6-18(16)26)24-15-9-7-14(8-10-15)20-25-17-5-3-11-22-21(17)28-20/h1-11,13H,12H2,(H,24,27)
InChIKeyAVBDKQUWVYQANL-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

2-(benzimidazol-1-yl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121025018
2-phenoxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 3397110
2-(benzimidazol-1-yl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)acetamide
CID 121033246
N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 121024375
2-pyridin-3-yloxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024419
4-[[2-(benzimidazol-1-yl)acetyl]amino]benzoate
CID 6969911
2-indol-1-yl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024809
2-(3-methylphenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 7141315
4-(4-chlorophenyl)-4-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide
CID 121024336
2,4-dimethyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 121024374
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 3578169
5-methyl-1-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrazole-4-carboxamide
CID 121024439

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide (CID 121024411) is 2-(benzimidazol-1-yl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide is O=C(Cn1cnc2ccccc21)Nc1ccc(-c2nc3cccnc3s2)cc1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
The InChIKey is AVBDKQUWVYQANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5OS/c27-19(12-26-13-23-16-4-1-2-6-18(16)26)24-15-9-7-14(8-10-15)20-25-17-5-3-11-22-21(17)28-20/h1-11,13H,12H2,(H,24,27).
What are the key properties of 2-(benzimidazol-1-yl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
2-(benzimidazol-1-yl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]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 2-(benzimidazol-1-yl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide is sourced from PubChem (CID 121024411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).