2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide

C21H21N3O2S — CID 8964779

IUPAC2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1
InChIInChI=1S/C21H21N3O2S/c1-3-15-4-8-18(9-5-15)23-20(26)12-21-24-19(13-27-21)16-6-10-17(11-7-16)22-14(2)25/h4-11,13H,3,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeySSNSIYGSPBRBOU-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.51
Rot. Bonds6

About 2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide

2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide (PubChem CID 8964779) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
PubChem CID8964779
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1
InChIInChI=1S/C21H21N3O2S/c1-3-15-4-8-18(9-5-15)23-20(26)12-21-24-19(13-27-21)16-6-10-17(11-7-16)22-14(2)25/h4-11,13H,3,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeySSNSIYGSPBRBOU-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
CID 9343938
2-(4-acetamidophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 46667868
N-(4-ethylphenyl)-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 24603193
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962915
2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 32951608
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962794
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 110351804
N-[4-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]butanamide
CID 9233346
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 2213605
N-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 82103470
2-[4-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]phenyl]acetamide
CID 31862065
2-[4-[(Z)-2-amino-1-cyanoprop-1-enyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 24587655

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide (CID 8964779) is 2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)Cc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1.
What is the InChIKey of 2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
The InChIKey is SSNSIYGSPBRBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-3-15-4-8-18(9-5-15)23-20(26)12-21-24-19(13-27-21)16-6-10-17(11-7-16)22-14(2)25/h4-11,13H,3,12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide has a molecular weight of 379.49 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 8964779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).