N-(3-cyanophenyl)-2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide

C21H19N3O2S2 — CID 38628754

IUPACN-(3-cyanophenyl)-2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
SMILESCCOc1ccc(-c2nc(CSCC(=O)Nc3cccc(C#N)c3)cs2)cc1
InChIInChI=1S/C21H19N3O2S2/c1-2-26-19-8-6-16(7-9-19)21-24-18(13-28-21)12-27-14-20(25)23-17-5-3-4-15(10-17)11-22/h3-10,13H,2,12,14H2,1H3,(H,23,25)
InChIKeyPFYSCZJWTRKPMM-UHFFFAOYSA-N
MW409.54 g/mol
LogP4.95
Rot. Bonds8

About N-(3-cyanophenyl)-2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide

N-(3-cyanophenyl)-2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide (PubChem CID 38628754) has the molecular formula C21H19N3O2S2 and a molecular weight of 409.54 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
PubChem CID38628754
Molecular FormulaC21H19N3O2S2
Molecular Weight409.54 g/mol
Exact Mass409.09
IUPAC NameN-(3-cyanophenyl)-2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
SMILESCCOc1ccc(-c2nc(CSCC(=O)Nc3cccc(C#N)c3)cs2)cc1
InChIInChI=1S/C21H19N3O2S2/c1-2-26-19-8-6-16(7-9-19)21-24-18(13-28-21)12-27-14-20(25)23-17-5-3-4-15(10-17)11-22/h3-10,13H,2,12,14H2,1H3,(H,23,25)
InChIKeyPFYSCZJWTRKPMM-UHFFFAOYSA-N
XLogP4.95
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-cyanophenyl)-2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46584283
N-(3-acetylphenyl)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38627971
2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 38628722
N-(3-bromophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 99192094
ethyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 39631537
N-(3-cyanophenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
CID 51168983
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 46424002
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-methylimidazol-2-yl)phenyl]acetamide
CID 60557191
N-cyclopropyl-3-[[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide
CID 46581107
N-(3-cyanophenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 8927230
[2-(3-cyanoanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273984
N-(2,5-dimethoxyphenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38629529

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide (CID 38628754) is N-(3-cyanophenyl)-2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide is CCOc1ccc(-c2nc(CSCC(=O)Nc3cccc(C#N)c3)cs2)cc1.
What is the InChIKey of N-(3-cyanophenyl)-2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide?
The InChIKey is PFYSCZJWTRKPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S2/c1-2-26-19-8-6-16(7-9-19)21-24-18(13-28-21)12-27-14-20(25)23-17-5-3-4-15(10-17)11-22/h3-10,13H,2,12,14H2,1H3,(H,23,25).
What are the key properties of N-(3-cyanophenyl)-2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide?
N-(3-cyanophenyl)-2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide has a molecular weight of 409.54 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide is sourced from PubChem (CID 38628754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).