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

N-(3-chlorophenyl)-2-[2-[(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 135833718) has the molecular formula C25H24ClN5O5S and a molecular weight of 542.02 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[2-[(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-(3-chlorophenyl)-2-[2-[(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	135833718
Molecular Formula	C25H24ClN5O5S
Molecular Weight	542.02 g/mol
Exact Mass	541.12
IUPAC Name	N-(3-chlorophenyl)-2-[2-[(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(/N=C2/NC(=O)C(CC(=O)Nc3cccc(Cl)c3)S2)c2c(O)[nH]c(=O)[nH]c2=O)cc1
InChI	InChI=1S/C25H24ClN5O5S/c1-12(2)13-6-8-14(9-7-13)20(19-22(34)29-24(36)30-23(19)35)28-25-31-21(33)17(37-25)11-18(32)27-16-5-3-4-15(26)10-16/h3-10,12,17,20H,11H2,1-2H3,(H,27,32)(H,28,31,33)(H3,29,30,34,35,36)
InChIKey	ADLGITAZLOZNFO-UHFFFAOYSA-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-(3-chlorophenyl)-2-[2-[(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-(3-chlorophenyl)-2-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-propan-2-ylphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135833718) is N-(3-chlorophenyl)-2-[2-[(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-(3-chlorophenyl)-2-[2-[(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-(3-chlorophenyl)-2-[2-[(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(/N=C2/NC(=O)C(CC(=O)Nc3cccc(Cl)c3)S2)c2c(O)[nH]c(=O)[nH]c2=O)cc1.

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

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

N-(3-chlorophenyl)-2-[2-[(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-(3-chlorophenyl)-2-[2-[(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 135833718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).