2-benzyl-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide

C23H26N4OS — CID 39024471

IUPAC2-benzyl-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2sc(Cc3ccccc3)nc2C)cc1
InChIInChI=1S/C23H26N4OS/c1-4-27(5-2)20-13-11-19(12-14-20)16-24-26-23(28)22-17(3)25-21(29-22)15-18-9-7-6-8-10-18/h6-14,16H,4-5,15H2,1-3H3,(H,26,28)/b24-16+
InChIKeyKZIVNPUEEFHUFD-LFVJCYFKSA-N
MW406.56 g/mol
LogP4.65
Rot. Bonds8

About 2-benzyl-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide

2-benzyl-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 39024471) has the molecular formula C23H26N4OS and a molecular weight of 406.56 g/mol. Its IUPAC name is 2-benzyl-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID39024471
Molecular FormulaC23H26N4OS
Molecular Weight406.56 g/mol
Exact Mass406.18
IUPAC Name2-benzyl-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2sc(Cc3ccccc3)nc2C)cc1
InChIInChI=1S/C23H26N4OS/c1-4-27(5-2)20-13-11-19(12-14-20)16-24-26-23(28)22-17(3)25-21(29-22)15-18-9-7-6-8-10-18/h6-14,16H,4-5,15H2,1-3H3,(H,26,28)/b24-16+
InChIKeyKZIVNPUEEFHUFD-LFVJCYFKSA-N
XLogP4.65
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-benzyl-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-N-[(E)-benzylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 39024482
2-benzyl-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
CID 42271197
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide
CID 5404499
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-3-carboxamide
CID 6110691
2-benzyl-4-methyl-N-[4-(propanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55788388
N-[[4-(diethylamino)phenyl]methylideneamino]-3-phenylpropanamide
CID 824175
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide
CID 6180854
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6882997
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044
2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 39084112
1-benzyl-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiourea
CID 5410280

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-benzyl-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide (CID 39024471) is 2-benzyl-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-benzyl-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-benzyl-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide is CCN(CC)c1ccc(/C=N/NC(=O)c2sc(Cc3ccccc3)nc2C)cc1.
What is the InChIKey of 2-benzyl-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is KZIVNPUEEFHUFD-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H26N4OS/c1-4-27(5-2)20-13-11-19(12-14-20)16-24-26-23(28)22-17(3)25-21(29-22)15-18-9-7-6-8-10-18/h6-14,16H,4-5,15H2,1-3H3,(H,26,28)/b24-16+.
What are the key properties of 2-benzyl-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
2-benzyl-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 406.56 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 39024471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).