2-[4-(dimethylamino)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

C22H25N5OS — CID 25095481

IUPAC2-[4-(dimethylamino)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCN(C)c1ccc(-c2nc(C(=O)Nc3ccccc3N3CCNCC3)cs2)cc1
InChIInChI=1S/C22H25N5OS/c1-26(2)17-9-7-16(8-10-17)22-25-19(15-29-22)21(28)24-18-5-3-4-6-20(18)27-13-11-23-12-14-27/h3-10,15,23H,11-14H2,1-2H3,(H,24,28)
InChIKeyZOFRJDJCYYYZFX-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.54
Rot. Bonds5

About 2-[4-(dimethylamino)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

2-[4-(dimethylamino)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 25095481) has the molecular formula C22H25N5OS and a molecular weight of 407.54 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID25095481
Molecular FormulaC22H25N5OS
Molecular Weight407.54 g/mol
Exact Mass407.18
IUPAC Name2-[4-(dimethylamino)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCN(C)c1ccc(-c2nc(C(=O)Nc3ccccc3N3CCNCC3)cs2)cc1
InChIInChI=1S/C22H25N5OS/c1-26(2)17-9-7-16(8-10-17)22-25-19(15-29-22)21(28)24-18-5-3-4-6-20(18)27-13-11-23-12-14-27/h3-10,15,23H,11-14H2,1-2H3,(H,24,28)
InChIKeyZOFRJDJCYYYZFX-UHFFFAOYSA-N
XLogP3.54
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (CID 25095481) is 2-[4-(dimethylamino)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is CN(C)c1ccc(-c2nc(C(=O)Nc3ccccc3N3CCNCC3)cs2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZOFRJDJCYYYZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5OS/c1-26(2)17-9-7-16(8-10-17)22-25-19(15-29-22)21(28)24-18-5-3-4-6-20(18)27-13-11-23-12-14-27/h3-10,15,23H,11-14H2,1-2H3,(H,24,28).
What are the key properties of 2-[4-(dimethylamino)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
2-[4-(dimethylamino)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25095481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).