2-(4-acetamidophenyl)-5-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide

C21H21N3O2S — CID 110342379

IUPAC2-(4-acetamidophenyl)-5-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2nc(C(=O)NCCc3ccccc3)c(C)s2)cc1
InChIInChI=1S/C21H21N3O2S/c1-14-19(20(26)22-13-12-16-6-4-3-5-7-16)24-21(27-14)17-8-10-18(11-9-17)23-15(2)25/h3-11H,12-13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyLGIQGAOQKUOWII-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.05
Rot. Bonds6

About 2-(4-acetamidophenyl)-5-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide

2-(4-acetamidophenyl)-5-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 110342379) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-5-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-5-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
PubChem CID110342379
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name2-(4-acetamidophenyl)-5-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2nc(C(=O)NCCc3ccccc3)c(C)s2)cc1
InChIInChI=1S/C21H21N3O2S/c1-14-19(20(26)22-13-12-16-6-4-3-5-7-16)24-21(27-14)17-8-10-18(11-9-17)23-15(2)25/h3-11H,12-13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyLGIQGAOQKUOWII-UHFFFAOYSA-N
XLogP4.05
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidophenyl)-5-methyl-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide
CID 110342389
5-methyl-2-phenyl-N-propyl-1,3-thiazole-4-carboxamide
CID 110647228
2-(4-acetamidophenyl)-N-tert-butyl-5-methyl-1,3-thiazole-4-carboxamide
CID 110342387
2-(4-acetamidophenyl)-N,N-diethyl-5-methyl-1,3-thiazole-4-carboxamide
CID 110342385
5-methyl-N-(3-methylbutyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 110649271
2-(4-acetamidophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 110342355
N-[(4-acetamidophenyl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 24628898
6-(4-acetamidoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121699
3-(4-acetamidoanilino)-N-(2-phenylethyl)propanamide
CID 109024184
2-N-phenyl-5-N-(2-phenylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353949
4-ethyl-2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 155970335
5-(4-methylphenyl)-N-(2-phenylethyl)thiadiazole-4-carboxamide
CID 56731044

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-5-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-acetamidophenyl)-5-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide (CID 110342379) is 2-(4-acetamidophenyl)-5-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-5-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-acetamidophenyl)-5-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide is CC(=O)Nc1ccc(-c2nc(C(=O)NCCc3ccccc3)c(C)s2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-5-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LGIQGAOQKUOWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-14-19(20(26)22-13-12-16-6-4-3-5-7-16)24-21(27-14)17-8-10-18(11-9-17)23-15(2)25/h3-11H,12-13H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 2-(4-acetamidophenyl)-5-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
2-(4-acetamidophenyl)-5-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-5-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110342379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).