N-[4-[3-[(E)-3-methylbut-1-enyl]-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-5-yl]phenyl]formamide

C25H30N4O2S — CID 142861611

IUPACN-[4-[3-[(E)-3-methylbut-1-enyl]-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-5-yl]phenyl]formamide
SMILESCC(C)/C=C/N1CC(c2ccc(NC=O)cc2)S/C1=N\c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C25H30N4O2S/c1-19(2)11-12-29-17-24(20-3-5-21(6-4-20)26-18-30)32-25(29)27-22-7-9-23(10-8-22)28-13-15-31-16-14-28/h3-12,18-19,24H,13-17H2,1-2H3,(H,26,30)/b12-11+,27-25-
InChIKeyAZFDANFEVQFOBS-SPDYZOAQSA-N
MW450.61 g/mol
LogP5.04
Rot. Bonds7

About N-[4-[3-[(E)-3-methylbut-1-enyl]-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-5-yl]phenyl]formamide

N-[4-[3-[(E)-3-methylbut-1-enyl]-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-5-yl]phenyl]formamide (PubChem CID 142861611) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is N-[4-[3-[(E)-3-methylbut-1-enyl]-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-5-yl]phenyl]formamide.

Molecular Properties

Compound NameN-[4-[3-[(E)-3-methylbut-1-enyl]-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-5-yl]phenyl]formamide
PubChem CID142861611
Molecular FormulaC25H30N4O2S
Molecular Weight450.61 g/mol
Exact Mass450.21
IUPAC NameN-[4-[3-[(E)-3-methylbut-1-enyl]-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-5-yl]phenyl]formamide
SMILESCC(C)/C=C/N1CC(c2ccc(NC=O)cc2)S/C1=N\c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C25H30N4O2S/c1-19(2)11-12-29-17-24(20-3-5-21(6-4-20)26-18-30)32-25(29)27-22-7-9-23(10-8-22)28-13-15-31-16-14-28/h3-12,18-19,24H,13-17H2,1-2H3,(H,26,30)/b12-11+,27-25-
InChIKeyAZFDANFEVQFOBS-SPDYZOAQSA-N
XLogP5.04
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.61
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[4-[3-[(E)-3-methylbut-1-enyl]-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-5-yl]phenyl]formamide 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-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]formamide
CID 172863969
N-[4-methyl-3-[1-(4-morpholin-4-ylphenyl)ethenyl]phenyl]formamide
CID 134567230
N-(5-morpholin-4-yl-2-propan-2-ylsulfonylphenyl)formamide
CID 168652539
N-[4-(4-methoxypiperidin-1-yl)phenyl]formamide
CID 168651911
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
N-fluoro-4-morpholin-4-ylaniline
CID 141098997
N-(3-methylbutyl)-4-morpholin-4-ylaniline
CID 28675688
(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-methyl-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-4-one
CID 21374337
(2S)-1-methyl-N-[4-[2-(4-morpholin-4-ylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]phenyl]pyrrolidine-2-carboxamide
CID 142862033
1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine
CID 63988276
1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea
CID 47173524
2-methyl-3-(4-morpholin-4-ylanilino)propanenitrile
CID 55025369

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(E)-3-methylbut-1-enyl]-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-5-yl]phenyl]formamide?
The IUPAC name of N-[4-[3-[(E)-3-methylbut-1-enyl]-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-5-yl]phenyl]formamide (CID 142861611) is N-[4-[3-[(E)-3-methylbut-1-enyl]-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-5-yl]phenyl]formamide.
What is the SMILES notation for N-[4-[3-[(E)-3-methylbut-1-enyl]-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-5-yl]phenyl]formamide?
The canonical SMILES for N-[4-[3-[(E)-3-methylbut-1-enyl]-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-5-yl]phenyl]formamide is CC(C)/C=C/N1CC(c2ccc(NC=O)cc2)S/C1=N\c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[4-[3-[(E)-3-methylbut-1-enyl]-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-5-yl]phenyl]formamide?
The InChIKey is AZFDANFEVQFOBS-SPDYZOAQSA-N. The full InChI is InChI=1S/C25H30N4O2S/c1-19(2)11-12-29-17-24(20-3-5-21(6-4-20)26-18-30)32-25(29)27-22-7-9-23(10-8-22)28-13-15-31-16-14-28/h3-12,18-19,24H,13-17H2,1-2H3,(H,26,30)/b12-11+,27-25-.
What are the key properties of N-[4-[3-[(E)-3-methylbut-1-enyl]-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-5-yl]phenyl]formamide?
N-[4-[3-[(E)-3-methylbut-1-enyl]-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-5-yl]phenyl]formamide has a molecular weight of 450.61 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(E)-3-methylbut-1-enyl]-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-5-yl]phenyl]formamide is sourced from PubChem (CID 142861611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).