N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide

C25H20N4O3S — CID 55432888

IUPACN-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2-c2nc3ccccc3s2)c1=O
InChIInChI=1S/C25H20N4O3S/c1-2-28-24(31)17-10-4-7-13-20(17)29(25(28)32)15-22(30)26-18-11-5-3-9-16(18)23-27-19-12-6-8-14-21(19)33-23/h3-14H,2,15H2,1H3,(H,26,30)
InChIKeyYRGKENNRQBMFAX-UHFFFAOYSA-N
MW456.53 g/mol
LogP4.10
Rot. Bonds5

About N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide

N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide (PubChem CID 55432888) has the molecular formula C25H20N4O3S and a molecular weight of 456.53 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
PubChem CID55432888
Molecular FormulaC25H20N4O3S
Molecular Weight456.53 g/mol
Exact Mass456.13
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2-c2nc3ccccc3s2)c1=O
InChIInChI=1S/C25H20N4O3S/c1-2-28-24(31)17-10-4-7-13-20(17)29(25(28)32)15-22(30)26-18-11-5-3-9-16(18)23-27-19-12-6-8-14-21(19)33-23/h3-14H,2,15H2,1H3,(H,26,30)
InChIKeyYRGKENNRQBMFAX-UHFFFAOYSA-N
XLogP4.10
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 55433678
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16599570
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-quinolin-3-ylacetamide
CID 29331067
N-(1H-benzimidazol-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 24508854
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 6502232
N-(1,3-benzothiazol-2-yl)-2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46925503
N-(3,5-dichlorophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465857
2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 3432119
N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]propanamide
CID 953197
N-[5-chloro-2-(dimethylamino)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 55432797
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 17432004
N-(1,3-benzothiazol-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(4-ethylphenyl)acetamide
CID 24509156

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide (CID 55432888) is N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide is CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2-c2nc3ccccc3s2)c1=O.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
The InChIKey is YRGKENNRQBMFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3S/c1-2-28-24(31)17-10-4-7-13-20(17)29(25(28)32)15-22(30)26-18-11-5-3-9-16(18)23-27-19-12-6-8-14-21(19)33-23/h3-14H,2,15H2,1H3,(H,26,30).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide has a molecular weight of 456.53 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide is sourced from PubChem (CID 55432888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).