2-(4-ethylphenyl)-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide

C23H25N3O2S — CID 27674605

IUPAC2-(4-ethylphenyl)-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(-c2nc(C)c(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)s2)cc1
InChIInChI=1S/C23H25N3O2S/c1-5-16-6-8-17(9-7-16)23-24-15(4)20(29-23)22(28)26-19-12-10-18(11-13-19)25-21(27)14(2)3/h6-14H,5H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyASQZZCKKAKMWBP-UHFFFAOYSA-N
MW407.54 g/mol
LogP5.53
Rot. Bonds6

About 2-(4-ethylphenyl)-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide

2-(4-ethylphenyl)-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 27674605) 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-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID27674605
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name2-(4-ethylphenyl)-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(-c2nc(C)c(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)s2)cc1
InChIInChI=1S/C23H25N3O2S/c1-5-16-6-8-17(9-7-16)23-24-15(4)20(29-23)22(28)26-19-12-10-18(11-13-19)25-21(27)14(2)3/h6-14H,5H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyASQZZCKKAKMWBP-UHFFFAOYSA-N
XLogP5.53
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.54
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-diethylphenyl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16562743
2-[(4-fluorophenyl)methyl]-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55650082
2-(4-ethoxyphenyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55609741
2-(4-ethylphenyl)-4-methyl-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide
CID 7594221
2-(4-ethylphenyl)-4-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
CID 24671584
2-(3-chlorophenyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55609828
2-methylpropyl 4-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]benzoate
CID 108788246
N-(4-ethylphenyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 39004841
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 26783293
N-[1-(3-acetamidophenyl)ethyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 46598586
2-[(dimethylamino)methyl]-N-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110387274
N-[4-(carbamoylamino)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 33153477

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-ethylphenyl)-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide (CID 27674605) is 2-(4-ethylphenyl)-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-ethylphenyl)-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-ethylphenyl)-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide is CCc1ccc(-c2nc(C)c(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)s2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ASQZZCKKAKMWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-5-16-6-8-17(9-7-16)23-24-15(4)20(29-23)22(28)26-19-12-10-18(11-13-19)25-21(27)14(2)3/h6-14H,5H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of 2-(4-ethylphenyl)-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide?
2-(4-ethylphenyl)-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 27674605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).