(Z)-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine

C22H20N6OS — CID 9027935

IUPAC(Z)-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
SMILESC(=N\n1cnnc1-c1ccccc1)\c1sc(N2CCOCC2)nc1-c1ccccc1
InChIInChI=1S/C22H20N6OS/c1-3-7-17(8-4-1)20-19(30-22(25-20)27-11-13-29-14-12-27)15-24-28-16-23-26-21(28)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2/b24-15-
InChIKeyLWBAIXSBLDAFRK-IWIPYMOSSA-N
MW416.51 g/mol
LogP3.79
Rot. Bonds5

About (Z)-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine

(Z)-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine (PubChem CID 9027935) has the molecular formula C22H20N6OS and a molecular weight of 416.51 g/mol. Its IUPAC name is (Z)-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
PubChem CID9027935
Molecular FormulaC22H20N6OS
Molecular Weight416.51 g/mol
Exact Mass416.14
IUPAC Name(Z)-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
SMILESC(=N\n1cnnc1-c1ccccc1)\c1sc(N2CCOCC2)nc1-c1ccccc1
InChIInChI=1S/C22H20N6OS/c1-3-7-17(8-4-1)20-19(30-22(25-20)27-11-13-29-14-12-27)15-24-28-16-23-26-21(28)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2/b24-15-
InChIKeyLWBAIXSBLDAFRK-IWIPYMOSSA-N
XLogP3.79
TPSA68.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (Z)-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine 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

(E)-N-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanimine
CID 43024419
(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanimine
CID 9012646
4-fluoro-N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]aniline
CID 3405666
4-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzenesulfonamide
CID 6904054
(E)-3-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-1,3-benzothiazol-2-imine
CID 6902132
2-fluoro-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzamide
CID 6904363
(3Z)-1-methyl-3-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylidene]indol-2-one
CID 2108016
2,5-dimethyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]furan-3-carboxamide
CID 6904472
(E)-1-(4-fluorophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
CID 8856182
N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 4189761
(E)-N-(2-aminophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide
CID 155531820
(E)-N-(3,4-dimethoxyphenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide
CID 155515525

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (Z)-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine (CID 9027935) is (Z)-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (Z)-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (Z)-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine is C(=N\n1cnnc1-c1ccccc1)\c1sc(N2CCOCC2)nc1-c1ccccc1.
What is the InChIKey of (Z)-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
The InChIKey is LWBAIXSBLDAFRK-IWIPYMOSSA-N. The full InChI is InChI=1S/C22H20N6OS/c1-3-7-17(8-4-1)20-19(30-22(25-20)27-11-13-29-14-12-27)15-24-28-16-23-26-21(28)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2/b24-15-.
What are the key properties of (Z)-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
(Z)-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine has a molecular weight of 416.51 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 9027935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).