N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide

C25H20N4O4S — CID 30044633

IUPACN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)n2)o1
InChIInChI=1S/C25H20N4O4S/c1-15(30)26-12-16-10-11-22(33-16)19-14-34-25(27-19)28-23(31)13-29-20-8-4-2-6-17(20)24(32)18-7-3-5-9-21(18)29/h2-11,14H,12-13H2,1H3,(H,26,30)(H,27,28,31)
InChIKeyCVTHHOWIYRUXMX-UHFFFAOYSA-N
MW472.53 g/mol
LogP4.15
Rot. Bonds6

About N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 30044633) has the molecular formula C25H20N4O4S and a molecular weight of 472.53 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID30044633
Molecular FormulaC25H20N4O4S
Molecular Weight472.53 g/mol
Exact Mass472.12
IUPAC NameN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)n2)o1
InChIInChI=1S/C25H20N4O4S/c1-15(30)26-12-16-10-11-22(33-16)19-14-34-25(27-19)28-23(31)13-29-20-8-4-2-6-17(20)24(32)18-7-3-5-9-21(18)29/h2-11,14H,12-13H2,1H3,(H,26,30)(H,27,28,31)
InChIKeyCVTHHOWIYRUXMX-UHFFFAOYSA-N
XLogP4.15
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
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N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylsulfanylacetamide
CID 51263114
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 119696349
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 42380301
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78860988
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide
CID 35889870
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-aminobutanamide;hydrochloride
CID 119696366
N-[[5-[2-[[N'-(naphthalen-1-ylmethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 54367460
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)propanamide
CID 18127807
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-7-aminoheptanamide
CID 119696335
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(3-fluorophenyl)acetamide
CID 24570721
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide
CID 42377650

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide (CID 30044633) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide is CC(=O)NCc1ccc(-c2csc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)n2)o1.
What is the InChIKey of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is CVTHHOWIYRUXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O4S/c1-15(30)26-12-16-10-11-22(33-16)19-14-34-25(27-19)28-23(31)13-29-20-8-4-2-6-17(20)24(32)18-7-3-5-9-21(18)29/h2-11,14H,12-13H2,1H3,(H,26,30)(H,27,28,31).
What are the key properties of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide?
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 472.53 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 30044633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).