N-(4-cyanophenyl)-2-[3-methyl-2-(4-phenoxyphenyl)imino-1,3-thiazol-4-yl]acetamide

C25H20N4O2S — CID 22347669

IUPACN-(4-cyanophenyl)-2-[3-methyl-2-(4-phenoxyphenyl)imino-1,3-thiazol-4-yl]acetamide
SMILESCn1c(CC(=O)Nc2ccc(C#N)cc2)cs/c1=N\c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H20N4O2S/c1-29-21(15-24(30)27-19-9-7-18(16-26)8-10-19)17-32-25(29)28-20-11-13-23(14-12-20)31-22-5-3-2-4-6-22/h2-14,17H,15H2,1H3,(H,27,30)/b28-25-
InChIKeyOSZMVNFMDVHFRT-FVDSYPCUSA-N
MW440.53 g/mol
LogP5.16
Rot. Bonds6

About N-(4-cyanophenyl)-2-[3-methyl-2-(4-phenoxyphenyl)imino-1,3-thiazol-4-yl]acetamide

N-(4-cyanophenyl)-2-[3-methyl-2-(4-phenoxyphenyl)imino-1,3-thiazol-4-yl]acetamide (PubChem CID 22347669) has the molecular formula C25H20N4O2S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[3-methyl-2-(4-phenoxyphenyl)imino-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[3-methyl-2-(4-phenoxyphenyl)imino-1,3-thiazol-4-yl]acetamide
PubChem CID22347669
Molecular FormulaC25H20N4O2S
Molecular Weight440.53 g/mol
Exact Mass440.13
IUPAC NameN-(4-cyanophenyl)-2-[3-methyl-2-(4-phenoxyphenyl)imino-1,3-thiazol-4-yl]acetamide
SMILESCn1c(CC(=O)Nc2ccc(C#N)cc2)cs/c1=N\c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H20N4O2S/c1-29-21(15-24(30)27-19-9-7-18(16-26)8-10-19)17-32-25(29)28-20-11-13-23(14-12-20)31-22-5-3-2-4-6-22/h2-14,17H,15H2,1H3,(H,27,30)/b28-25-
InChIKeyOSZMVNFMDVHFRT-FVDSYPCUSA-N
XLogP5.16
TPSA79.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.53
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanophenyl)-2-[2-(2-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride
CID 22347716
2-[2-(1-adamantylimino)-3-methyl-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 46863035
2-[3-methyl-2-[4-(trifluoromethoxy)phenyl]imino-1,3-thiazol-4-yl]-N-(4-nitrophenyl)acetamide
CID 22347693
2-(4-cyanophenyl)-N-phenylacetamide
CID 12672919
2-[3-[5-(4-cyanophenoxy)pentyl]-2,6-dioxopyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 122192830
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 4-cyanobenzoate
CID 2413524
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
[2-(4-cyanoanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797849
N-[4-(4-cyanophenoxy)phenyl]-3-pyridin-3-ylpropanamide
CID 48872559
2-(4-acetamidophenoxy)-N-(4-phenoxyphenyl)acetamide
CID 2471722
2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 24855603
sodium 4-[3-(4-cyanophenoxy)anilino]-4-oxobutanoate
CID 166181915

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[3-methyl-2-(4-phenoxyphenyl)imino-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[3-methyl-2-(4-phenoxyphenyl)imino-1,3-thiazol-4-yl]acetamide (CID 22347669) is N-(4-cyanophenyl)-2-[3-methyl-2-(4-phenoxyphenyl)imino-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[3-methyl-2-(4-phenoxyphenyl)imino-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[3-methyl-2-(4-phenoxyphenyl)imino-1,3-thiazol-4-yl]acetamide is Cn1c(CC(=O)Nc2ccc(C#N)cc2)cs/c1=N\c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[3-methyl-2-(4-phenoxyphenyl)imino-1,3-thiazol-4-yl]acetamide?
The InChIKey is OSZMVNFMDVHFRT-FVDSYPCUSA-N. The full InChI is InChI=1S/C25H20N4O2S/c1-29-21(15-24(30)27-19-9-7-18(16-26)8-10-19)17-32-25(29)28-20-11-13-23(14-12-20)31-22-5-3-2-4-6-22/h2-14,17H,15H2,1H3,(H,27,30)/b28-25-.
What are the key properties of N-(4-cyanophenyl)-2-[3-methyl-2-(4-phenoxyphenyl)imino-1,3-thiazol-4-yl]acetamide?
N-(4-cyanophenyl)-2-[3-methyl-2-(4-phenoxyphenyl)imino-1,3-thiazol-4-yl]acetamide has a molecular weight of 440.53 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[3-methyl-2-(4-phenoxyphenyl)imino-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 22347669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).