(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

About (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 18869201) has the molecular formula C30H28N4O3S and a molecular weight of 524.65 g/mol. Its IUPAC name is (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name	(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID	18869201
Molecular Formula	C30H28N4O3S
Molecular Weight	524.65 g/mol
Exact Mass	524.19
IUPAC Name	(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILES	COc1cccc(C2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n32)c1
InChI	InChI=1S/C30H28N4O3S/c1-19-26(28(35)32-22-10-6-5-7-11-22)27(21-9-8-12-24(18-21)37-4)34-29(36)25(38-30(34)31-19)17-20-13-15-23(16-14-20)33(2)3/h5-18,27H,1-4H3,(H,32,35)/b25-17+
InChIKey	SQLAXWGDDLVCDV-KOEQRZSOSA-N
XLogP	3.95
TPSA	75.93 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.65
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 18869201) is (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COc1cccc(C2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n32)c1.

What is the InChIKey of (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is SQLAXWGDDLVCDV-KOEQRZSOSA-N. The full InChI is InChI=1S/C30H28N4O3S/c1-19-26(28(35)32-22-10-6-5-7-11-22)27(21-9-8-12-24(18-21)37-4)34-29(36)25(38-30(34)31-19)17-20-13-15-23(16-14-20)33(2)3/h5-18,27H,1-4H3,(H,32,35)/b25-17+.

What are the key properties of (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 524.65 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 18869201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).