2-[(5R)-3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(4-oxoquinazolin-3-yl)acetamide

C20H16N4O4S — CID 27271990

IUPAC2-[(5R)-3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(C[C@H]1SC(=O)N(Cc2ccccc2)C1=O)Nn1cnc2ccccc2c1=O
InChIInChI=1S/C20H16N4O4S/c25-17(22-24-12-21-15-9-5-4-8-14(15)18(24)26)10-16-19(27)23(20(28)29-16)11-13-6-2-1-3-7-13/h1-9,12,16H,10-11H2,(H,22,25)/t16-/m1/s1
InChIKeyRGSXTBKDEKRFLP-MRXNPFEDSA-N
MW408.44 g/mol
LogP2.12
Rot. Bonds5

About 2-[(5R)-3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(4-oxoquinazolin-3-yl)acetamide

2-[(5R)-3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 27271990) has the molecular formula C20H16N4O4S and a molecular weight of 408.44 g/mol. Its IUPAC name is 2-[(5R)-3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound Name2-[(5R)-3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(4-oxoquinazolin-3-yl)acetamide
PubChem CID27271990
Molecular FormulaC20H16N4O4S
Molecular Weight408.44 g/mol
Exact Mass408.09
IUPAC Name2-[(5R)-3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(C[C@H]1SC(=O)N(Cc2ccccc2)C1=O)Nn1cnc2ccccc2c1=O
InChIInChI=1S/C20H16N4O4S/c25-17(22-24-12-21-15-9-5-4-8-14(15)18(24)26)10-16-19(27)23(20(28)29-16)11-13-6-2-1-3-7-13/h1-9,12,16H,10-11H2,(H,22,25)/t16-/m1/s1
InChIKeyRGSXTBKDEKRFLP-MRXNPFEDSA-N
XLogP2.12
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-oxoquinazolin-3-yl)-2-(4-phenylphenyl)acetamide
CID 26181771
N-(4-oxoquinazolin-3-yl)pentanamide
CID 27757903
1-N,2-N-bis(4-oxoquinazolin-3-yl)cyclopropane-1,2-dicarboxamide
CID 166206906
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(4-oxoquinazolin-3-yl)propanamide
CID 134061354
2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 3847272
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-oxoquinazolin-3-yl)propanamide
CID 134061353
4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide
CID 3691109
(5S)-3-benzyl-5-[(2-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126155945
(5R)-3-benzyl-5-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126156151
N-benzyl-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 21235061
N-(benzimidazol-1-yl)-3-benzyl-4-oxophthalazine-1-carboxamide
CID 34328016
4-ethyl-N-(4-oxoquinazolin-3-yl)thiadiazole-5-carboxamide
CID 75413353

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of 2-[(5R)-3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(4-oxoquinazolin-3-yl)acetamide (CID 27271990) is 2-[(5R)-3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for 2-[(5R)-3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for 2-[(5R)-3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(4-oxoquinazolin-3-yl)acetamide is O=C(C[C@H]1SC(=O)N(Cc2ccccc2)C1=O)Nn1cnc2ccccc2c1=O.
What is the InChIKey of 2-[(5R)-3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is RGSXTBKDEKRFLP-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H16N4O4S/c25-17(22-24-12-21-15-9-5-4-8-14(15)18(24)26)10-16-19(27)23(20(28)29-16)11-13-6-2-1-3-7-13/h1-9,12,16H,10-11H2,(H,22,25)/t16-/m1/s1.
What are the key properties of 2-[(5R)-3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(4-oxoquinazolin-3-yl)acetamide?
2-[(5R)-3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 408.44 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 27271990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).