N-(4-chlorophenyl)-2-[(5R)-2-[(S)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-propan-2-ylphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

About N-(4-chlorophenyl)-2-[(5R)-2-[(S)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-propan-2-ylphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(4-chlorophenyl)-2-[(5R)-2-[(S)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-propan-2-ylphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 136720179) has the molecular formula C25H24ClN5O5S and a molecular weight of 542.02 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(5R)-2-[(S)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-propan-2-ylphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound Name	N-(4-chlorophenyl)-2-[(5R)-2-[(S)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-propan-2-ylphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID	136720179
Molecular Formula	C25H24ClN5O5S
Molecular Weight	542.02 g/mol
Exact Mass	541.12
IUPAC Name	N-(4-chlorophenyl)-2-[(5R)-2-[(S)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-propan-2-ylphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILES	CC(C)c1ccc([C@H](/N=C2/NC(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)S2)c2c(O)[nH]c(=O)[nH]c2=O)cc1
InChI	InChI=1S/C25H24ClN5O5S/c1-12(2)13-3-5-14(6-4-13)20(19-22(34)29-24(36)30-23(19)35)28-25-31-21(33)17(37-25)11-18(32)27-16-9-7-15(26)8-10-16/h3-10,12,17,20H,11H2,1-2H3,(H,27,32)(H,28,31,33)(H3,29,30,34,35,36)/t17-,20+/m1/s1
InChIKey	CAAGUBGOBOCUMZ-XLIONFOSSA-N
XLogP	3.25
TPSA	156.51 Å²
H-Bond Donors	5
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.02
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(5R)-2-[(S)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-propan-2-ylphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?

The IUPAC name of N-(4-chlorophenyl)-2-[(5R)-2-[(S)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-propan-2-ylphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 136720179) is N-(4-chlorophenyl)-2-[(5R)-2-[(S)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-propan-2-ylphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

What is the SMILES notation for N-(4-chlorophenyl)-2-[(5R)-2-[(S)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-propan-2-ylphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?

The canonical SMILES for N-(4-chlorophenyl)-2-[(5R)-2-[(S)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-propan-2-ylphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is CC(C)c1ccc([C@H](/N=C2/NC(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)S2)c2c(O)[nH]c(=O)[nH]c2=O)cc1.

What is the InChIKey of N-(4-chlorophenyl)-2-[(5R)-2-[(S)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-propan-2-ylphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?

The InChIKey is CAAGUBGOBOCUMZ-XLIONFOSSA-N. The full InChI is InChI=1S/C25H24ClN5O5S/c1-12(2)13-3-5-14(6-4-13)20(19-22(34)29-24(36)30-23(19)35)28-25-31-21(33)17(37-25)11-18(32)27-16-9-7-15(26)8-10-16/h3-10,12,17,20H,11H2,1-2H3,(H,27,32)(H,28,31,33)(H3,29,30,34,35,36)/t17-,20+/m1/s1.

What are the key properties of N-(4-chlorophenyl)-2-[(5R)-2-[(S)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-propan-2-ylphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?

N-(4-chlorophenyl)-2-[(5R)-2-[(S)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-propan-2-ylphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 542.02 g/mol, XLogP of 3.25, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-2-[(5R)-2-[(S)-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-propan-2-ylphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 136720179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).