N-ethyl-2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-N-methyl-1,3-thiazole-4-carboxamide

C20H28N4OS — CID 90185005

IUPACN-ethyl-2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCCN(C)/C=N/c1cc(C)c(Cc2nc(C(=O)N(C)CC)cs2)cc1C
InChIInChI=1S/C20H28N4OS/c1-7-23(5)13-21-17-10-14(3)16(9-15(17)4)11-19-22-18(12-26-19)20(25)24(6)8-2/h9-10,12-13H,7-8,11H2,1-6H3/b21-13+
InChIKeyGLVATGVJYVZVLH-FYJGNVAPSA-N
MW372.54 g/mol
LogP4.05
Rot. Bonds7

About N-ethyl-2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-N-methyl-1,3-thiazole-4-carboxamide

N-ethyl-2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 90185005) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is N-ethyl-2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID90185005
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC NameN-ethyl-2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCCN(C)/C=N/c1cc(C)c(Cc2nc(C(=O)N(C)CC)cs2)cc1C
InChIInChI=1S/C20H28N4OS/c1-7-23(5)13-21-17-10-14(3)16(9-15(17)4)11-19-22-18(12-26-19)20(25)24(6)8-2/h9-10,12-13H,7-8,11H2,1-6H3/b21-13+
InChIKeyGLVATGVJYVZVLH-FYJGNVAPSA-N
XLogP4.05
TPSA48.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 90185005) is N-ethyl-2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-N-methyl-1,3-thiazole-4-carboxamide is CCN(C)/C=N/c1cc(C)c(Cc2nc(C(=O)N(C)CC)cs2)cc1C.
What is the InChIKey of N-ethyl-2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is GLVATGVJYVZVLH-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-7-23(5)13-21-17-10-14(3)16(9-15(17)4)11-19-22-18(12-26-19)20(25)24(6)8-2/h9-10,12-13H,7-8,11H2,1-6H3/b21-13+.
What are the key properties of N-ethyl-2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-N-methyl-1,3-thiazole-4-carboxamide?
N-ethyl-2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 372.54 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90185005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).