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

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

2-[(5S)-2-[(R)-[4-(dimethylamino)phenyl]-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 136915711) has the molecular formula C26H28N6O5S and a molecular weight of 536.61 g/mol. Its IUPAC name is 2-[(5S)-2-[(R)-[4-(dimethylamino)phenyl]-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name	2-[(5S)-2-[(R)-[4-(dimethylamino)phenyl]-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
PubChem CID	136915711
Molecular Formula	C26H28N6O5S
Molecular Weight	536.61 g/mol
Exact Mass	536.18
IUPAC Name	2-[(5S)-2-[(R)-[4-(dimethylamino)phenyl]-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
SMILES	Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@H](c3ccc(N(C)C)cc3)c3c(O)[nH]c(=O)[nH]c3=O)NC2=O)c1
InChI	InChI=1S/C26H28N6O5S/c1-13-5-6-14(2)17(11-13)27-19(33)12-18-22(34)31-26(38-18)28-21(15-7-9-16(10-8-15)32(3)4)20-23(35)29-25(37)30-24(20)36/h5-11,18,21H,12H2,1-4H3,(H,27,33)(H,28,31,34)(H3,29,30,35,36,37)/t18-,21+/m0/s1
InChIKey	CYUJVINBTPBUJU-GHTZIAJQSA-N
XLogP	2.16
TPSA	159.75 Å²
H-Bond Donors	5
H-Bond Acceptors	8
Rotatable Bonds	7
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.61
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

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

The IUPAC name of 2-[(5S)-2-[(R)-[4-(dimethylamino)phenyl]-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide (CID 136915711) is 2-[(5S)-2-[(R)-[4-(dimethylamino)phenyl]-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide.

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

The canonical SMILES for 2-[(5S)-2-[(R)-[4-(dimethylamino)phenyl]-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@H](c3ccc(N(C)C)cc3)c3c(O)[nH]c(=O)[nH]c3=O)NC2=O)c1.

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

The InChIKey is CYUJVINBTPBUJU-GHTZIAJQSA-N. The full InChI is InChI=1S/C26H28N6O5S/c1-13-5-6-14(2)17(11-13)27-19(33)12-18-22(34)31-26(38-18)28-21(15-7-9-16(10-8-15)32(3)4)20-23(35)29-25(37)30-24(20)36/h5-11,18,21H,12H2,1-4H3,(H,27,33)(H,28,31,34)(H3,29,30,35,36,37)/t18-,21+/m0/s1.

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

2-[(5S)-2-[(R)-[4-(dimethylamino)phenyl]-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 536.61 g/mol, XLogP of 2.16, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5S)-2-[(R)-[4-(dimethylamino)phenyl]-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 136915711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).