2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide

C25H25N3O2S2 — CID 16601830

IUPAC2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)NCCc2ccc(-c3csc(C)n3)cc2)cs1
InChIInChI=1S/C25H25N3O2S2/c1-3-30-23-7-5-4-6-21(23)25-28-20(15-32-25)14-24(29)26-13-12-18-8-10-19(11-9-18)22-16-31-17(2)27-22/h4-11,15-16H,3,12-14H2,1-2H3,(H,26,29)
InChIKeyCPLDRODAZHERIF-UHFFFAOYSA-N
MW463.63 g/mol
LogP5.54
Rot. Bonds9

About 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide

2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide (PubChem CID 16601830) has the molecular formula C25H25N3O2S2 and a molecular weight of 463.63 g/mol. Its IUPAC name is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
PubChem CID16601830
Molecular FormulaC25H25N3O2S2
Molecular Weight463.63 g/mol
Exact Mass463.14
IUPAC Name2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)NCCc2ccc(-c3csc(C)n3)cc2)cs1
InChIInChI=1S/C25H25N3O2S2/c1-3-30-23-7-5-4-6-21(23)25-28-20(15-32-25)14-24(29)26-13-12-18-8-10-19(11-9-18)22-16-31-17(2)27-22/h4-11,15-16H,3,12-14H2,1-2H3,(H,26,29)
InChIKeyCPLDRODAZHERIF-UHFFFAOYSA-N
XLogP5.54
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.63
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 16591047
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 16568239
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 55607641
methyl 4-[[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]benzoate
CID 55485977
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 18138820
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 38162050
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 16591401
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 18137419
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]acetamide
CID 56524256
3-(4-ethoxy-3-methoxyphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 108725435
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(4-nitrophenyl)methyl]acetamide
CID 55900515
2-(2-methoxyethoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 108725440

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide?
The IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide (CID 16601830) is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide is CCOc1ccccc1-c1nc(CC(=O)NCCc2ccc(-c3csc(C)n3)cc2)cs1.
What is the InChIKey of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide?
The InChIKey is CPLDRODAZHERIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2S2/c1-3-30-23-7-5-4-6-21(23)25-28-20(15-32-25)14-24(29)26-13-12-18-8-10-19(11-9-18)22-16-31-17(2)27-22/h4-11,15-16H,3,12-14H2,1-2H3,(H,26,29).
What are the key properties of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide?
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide has a molecular weight of 463.63 g/mol, XLogP of 5.54, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 16601830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).