(4R)-N-benzyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide

C24H24N4O4S — CID 70684798

IUPAC(4R)-N-benzyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide
SMILESCC1=CN(C(=O)NC1=O)CC(=O)N2[C@@H](CSC2C3=CC=CC=C3)C(=O)NCC4=CC=CC=C4
InChIInChI=1S/C24H24N4O4S/c1-16-13-27(24(32)26-21(16)30)14-20(29)28-19(15-33-23(28)18-10-6-3-7-11-18)22(31)25-12-17-8-4-2-5-9-17/h2-11,13,19,23H,12,14-15H2,1H3,(H,25,31)(H,26,30,32)/t19-,23?/m0/s1
InChIKeyFISNXTGROGLOAG-HSTJUUNISA-N
MW464.50 g/mol
LogP2.00
Rot. Bonds6

About (4R)-N-benzyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide

(4R)-N-benzyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide (PubChem CID 70684798) has the molecular formula C24H24N4O4S and a molecular weight of 464.50 g/mol. Its IUPAC name is (4R)-N-benzyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-benzyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide
PubChem CID70684798
Molecular FormulaC24H24N4O4S
Molecular Weight464.50 g/mol
Exact Mass464.15
IUPAC Name(4R)-N-benzyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide
SMILESCC1=CN(C(=O)NC1=O)CC(=O)N2[C@@H](CSC2C3=CC=CC=C3)C(=O)NCC4=CC=CC=C4
InChIInChI=1S/C24H24N4O4S/c1-16-13-27(24(32)26-21(16)30)14-20(29)28-19(15-33-23(28)18-10-6-3-7-11-18)22(31)25-12-17-8-4-2-5-9-17/h2-11,13,19,23H,12,14-15H2,1H3,(H,25,31)(H,26,30,32)/t19-,23?/m0/s1
InChIKeyFISNXTGROGLOAG-HSTJUUNISA-N
XLogP2.00
TPSA124.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity804

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 4878898
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(4-fluorophenyl)sulfanylpropanamide
CID 24981614
N-(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-((2-methylbenzyl)thio)-N-propylacetamide
CID 24982017
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 25163849
N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-isobutyl-5-keto-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxamide
CID 24816584
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 24979791
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 24983013
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 25102521
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-oxo-1H-pyridine-3-carboxamide
CID 9115374
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-7a-methyl-N-(3-methylbutyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 24687894
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(4-fluorophenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 24687950
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(4-fluorophenyl)sulfanyl-N-propylpropanamide
CID 24818037

Frequently Asked Questions

What is the IUPAC name of (4R)-N-benzyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-benzyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide (CID 70684798) is (4R)-N-benzyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-benzyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-benzyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide is CC1=CN(C(=O)NC1=O)CC(=O)N2[C@@H](CSC2C3=CC=CC=C3)C(=O)NCC4=CC=CC=C4.
What is the InChIKey of (4R)-N-benzyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is FISNXTGROGLOAG-HSTJUUNISA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-16-13-27(24(32)26-21(16)30)14-20(29)28-19(15-33-23(28)18-10-6-3-7-11-18)22(31)25-12-17-8-4-2-5-9-17/h2-11,13,19,23H,12,14-15H2,1H3,(H,25,31)(H,26,30,32)/t19-,23?/m0/s1.
What are the key properties of (4R)-N-benzyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide?
(4R)-N-benzyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 464.50 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-benzyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 70684798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).