N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide

C20H16N4O2S — CID 8881889

IUPACN-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESN#CCOc1ccc(/C=N\NC(=O)Cc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C20H16N4O2S/c21-10-11-26-17-8-6-15(7-9-17)13-22-24-19(25)12-20-23-18(14-27-20)16-4-2-1-3-5-16/h1-9,13-14H,11-12H2,(H,24,25)/b22-13-
InChIKeyLMKAPPZQAAGTSC-XKZIYDEJSA-N
MW376.44 g/mol
LogP3.41
Rot. Bonds7

About N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide

N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 8881889) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID8881889
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC NameN-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESN#CCOc1ccc(/C=N\NC(=O)Cc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C20H16N4O2S/c21-10-11-26-17-8-6-15(7-9-17)13-22-24-19(25)12-20-23-18(14-27-20)16-4-2-1-3-5-16/h1-9,13-14H,11-12H2,(H,24,25)/b22-13-
InChIKeyLMKAPPZQAAGTSC-XKZIYDEJSA-N
XLogP3.41
TPSA87.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)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-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 135767838
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8880953
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8881635
N-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8881360
N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8881280
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 19194290
2-(4-chlorophenoxy)-N-[[4-(cyanomethoxy)phenyl]methylideneamino]acetamide
CID 3979326
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 19194286
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 19194461
N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-(3,5-dimethylphenoxy)acetamide
CID 9217503
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 10644114
2-[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 956205

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 8881889) is N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide is N#CCOc1ccc(/C=N\NC(=O)Cc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is LMKAPPZQAAGTSC-XKZIYDEJSA-N. The full InChI is InChI=1S/C20H16N4O2S/c21-10-11-26-17-8-6-15(7-9-17)13-22-24-19(25)12-20-23-18(14-27-20)16-4-2-1-3-5-16/h1-9,13-14H,11-12H2,(H,24,25)/b22-13-.
What are the key properties of N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?
N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 376.44 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 8881889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).