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

C25H26N4O4S — CID 70689031

IUPAC(4R)-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1cn(CC(=O)N2C(c3ccccc3)SC[C@H]2C(=O)NCCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C25H26N4O4S/c1-17-14-28(25(33)27-22(17)31)15-21(30)29-20(16-34-24(29)19-10-6-3-7-11-19)23(32)26-13-12-18-8-4-2-5-9-18/h2-11,14,20,24H,12-13,15-16H2,1H3,(H,26,32)(H,27,31,33)/t20-,24?/m0/s1
InChIKeyJJVDWSRNEQMFJR-QHELBMECSA-N
MW478.57 g/mol
LogP1.85
Rot. Bonds7

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

(4R)-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 70689031) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is (4R)-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID70689031
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC Name(4R)-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1cn(CC(=O)N2C(c3ccccc3)SC[C@H]2C(=O)NCCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C25H26N4O4S/c1-17-14-28(25(33)27-22(17)31)15-21(30)29-20(16-34-24(29)19-10-6-3-7-11-19)23(32)26-13-12-18-8-4-2-5-9-18/h2-11,14,20,24H,12-13,15-16H2,1H3,(H,26,32)(H,27,31,33)/t20-,24?/m0/s1
InChIKeyJJVDWSRNEQMFJR-QHELBMECSA-N
XLogP1.85
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide (CID 70689031) is (4R)-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide is Cc1cn(CC(=O)N2C(c3ccccc3)SC[C@H]2C(=O)NCCc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of (4R)-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is JJVDWSRNEQMFJR-QHELBMECSA-N. The full InChI is InChI=1S/C25H26N4O4S/c1-17-14-28(25(33)27-22(17)31)15-21(30)29-20(16-34-24(29)19-10-6-3-7-11-19)23(32)26-13-12-18-8-4-2-5-9-18/h2-11,14,20,24H,12-13,15-16H2,1H3,(H,26,32)(H,27,31,33)/t20-,24?/m0/s1.
What are the key properties of (4R)-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide?
(4R)-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 70689031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).