2-(4-ethylphenyl)-4-methyl-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide

C23H25N3O2S — CID 7594221

IUPAC2-(4-ethylphenyl)-4-methyl-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(-c2nc(C)c(C(=O)Nc3ccc(N4CCOCC4)cc3)s2)cc1
InChIInChI=1S/C23H25N3O2S/c1-3-17-4-6-18(7-5-17)23-24-16(2)21(29-23)22(27)25-19-8-10-20(11-9-19)26-12-14-28-15-13-26/h4-11H,3,12-15H2,1-2H3,(H,25,27)
InChIKeyDKZMAFOHKOLLFA-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.77
Rot. Bonds5

About 2-(4-ethylphenyl)-4-methyl-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide

2-(4-ethylphenyl)-4-methyl-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 7594221) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-4-methyl-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-4-methyl-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID7594221
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name2-(4-ethylphenyl)-4-methyl-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(-c2nc(C)c(C(=O)Nc3ccc(N4CCOCC4)cc3)s2)cc1
InChIInChI=1S/C23H25N3O2S/c1-3-17-4-6-18(7-5-17)23-24-16(2)21(29-23)22(27)25-19-8-10-20(11-9-19)26-12-14-28-15-13-26/h4-11H,3,12-15H2,1-2H3,(H,25,27)
InChIKeyDKZMAFOHKOLLFA-UHFFFAOYSA-N
XLogP4.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylphenyl)-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 27674605
4-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 122354948
N-(2,6-diethylphenyl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16562743
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 26783293
2-(4-ethylphenyl)-4-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
CID 24671584
2-benzyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 46430563
N-(4-ethylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387139
2-benzyl-4-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55906052
N-(4-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324267
N-(4-ethylphenyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 39004841
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 27666108
N-[3-(cyclopropylcarbamoyl)phenyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24506420

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-4-methyl-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-ethylphenyl)-4-methyl-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide (CID 7594221) is 2-(4-ethylphenyl)-4-methyl-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-ethylphenyl)-4-methyl-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-ethylphenyl)-4-methyl-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide is CCc1ccc(-c2nc(C)c(C(=O)Nc3ccc(N4CCOCC4)cc3)s2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-4-methyl-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is DKZMAFOHKOLLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-3-17-4-6-18(7-5-17)23-24-16(2)21(29-23)22(27)25-19-8-10-20(11-9-19)26-12-14-28-15-13-26/h4-11H,3,12-15H2,1-2H3,(H,25,27).
What are the key properties of 2-(4-ethylphenyl)-4-methyl-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide?
2-(4-ethylphenyl)-4-methyl-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-4-methyl-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 7594221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).