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

C20H24N4O4S — CID 70682717

IUPAC(4R)-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
SMILESCc1cn(CC(=O)N2C(c3ccccc3)SC[C@H]2C(=O)NC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H24N4O4S/c1-12(2)21-18(27)15-11-29-19(14-7-5-4-6-8-14)24(15)16(25)10-23-9-13(3)17(26)22-20(23)28/h4-9,12,15,19H,10-11H2,1-3H3,(H,21,27)(H,22,26,28)/t15-,19?/m0/s1
InChIKeyXHHZOPCXOVCYHX-FUKCDUGKSA-N
MW416.50 g/mol
LogP1.01
Rot. Bonds5

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

(4R)-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide (PubChem CID 70682717) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is (4R)-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
PubChem CID70682717
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC Name(4R)-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
SMILESCc1cn(CC(=O)N2C(c3ccccc3)SC[C@H]2C(=O)NC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H24N4O4S/c1-12(2)21-18(27)15-11-29-19(14-7-5-4-6-8-14)24(15)16(25)10-23-9-13(3)17(26)22-20(23)28/h4-9,12,15,19H,10-11H2,1-3H3,(H,21,27)(H,22,26,28)/t15-,19?/m0/s1
InChIKeyXHHZOPCXOVCYHX-FUKCDUGKSA-N
XLogP1.01
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 51.01
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-propan-2-yl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide (CID 70682717) is (4R)-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-N-propan-2-yl-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-propan-2-yl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide is Cc1cn(CC(=O)N2C(c3ccccc3)SC[C@H]2C(=O)NC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of (4R)-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide?
The InChIKey is XHHZOPCXOVCYHX-FUKCDUGKSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-12(2)21-18(27)15-11-29-19(14-7-5-4-6-8-14)24(15)16(25)10-23-9-13(3)17(26)22-20(23)28/h4-9,12,15,19H,10-11H2,1-3H3,(H,21,27)(H,22,26,28)/t15-,19?/m0/s1.
What are the key properties of (4R)-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide?
(4R)-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 1.01, 5 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-propan-2-yl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 70682717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).