N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(9-oxoacridin-10-yl)acetamide

C28H24N4O2S — CID 16583662

IUPACN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1nc2c(s1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C28H24N4O2S/c33-26(18-32-23-12-6-4-10-20(23)27(34)21-11-5-7-13-24(21)32)30-28-29-22-14-15-31(17-25(22)35-28)16-19-8-2-1-3-9-19/h1-13H,14-18H2,(H,29,30,33)
InChIKeyHNWMNPWDNIZRCJ-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.81
Rot. Bonds5

About N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(9-oxoacridin-10-yl)acetamide

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 16583662) has the molecular formula C28H24N4O2S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(9-oxoacridin-10-yl)acetamide
PubChem CID16583662
Molecular FormulaC28H24N4O2S
Molecular Weight480.59 g/mol
Exact Mass480.16
IUPAC NameN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1nc2c(s1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C28H24N4O2S/c33-26(18-32-23-12-6-4-10-20(23)27(34)21-11-5-7-13-24(21)32)30-28-29-22-14-15-31(17-25(22)35-28)16-19-8-2-1-3-9-19/h1-13H,14-18H2,(H,29,30,33)
InChIKeyHNWMNPWDNIZRCJ-UHFFFAOYSA-N
XLogP4.81
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenylacetamide;hydrochloride
CID 44827183
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide
CID 17453392
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 29413242
3-amino-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide
CID 119828628
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 112794428
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methylpropanamide
CID 2388197
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 41489007
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8850262
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42154122
1-benzyl-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 112794446
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-methylpyrazine-2-carboxamide
CID 18074462
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 31867617

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(9-oxoacridin-10-yl)acetamide (CID 16583662) is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(9-oxoacridin-10-yl)acetamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1nc2c(s1)CN(Cc1ccccc1)CC2.
What is the InChIKey of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is HNWMNPWDNIZRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2S/c33-26(18-32-23-12-6-4-10-20(23)27(34)21-11-5-7-13-24(21)32)30-28-29-22-14-15-31(17-25(22)35-28)16-19-8-2-1-3-9-19/h1-13H,14-18H2,(H,29,30,33).
What are the key properties of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(9-oxoacridin-10-yl)acetamide?
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 480.59 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 16583662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).