N-[4-(4-ethoxyphenyl)-3-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide

C23H20N4OS — CID 42598478

IUPACN-[4-(4-ethoxyphenyl)-3-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide
SMILES[H]/N=C(/N=c1\scc(-c2ccc(OCC)cc2)n1-c1ccccc1)c1ccccn1
InChIInChI=1S/C23H20N4OS/c1-2-28-19-13-11-17(12-14-19)21-16-29-23(27(21)18-8-4-3-5-9-18)26-22(24)20-10-6-7-15-25-20/h3-16,24H,2H2,1H3/b24-22+,26-23-
InChIKeyXDHQZZRXMFMYRD-NZYVXWGSSA-N
MW400.51 g/mol
LogP4.93
Rot. Bonds5

About N-[4-(4-ethoxyphenyl)-3-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide

N-[4-(4-ethoxyphenyl)-3-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide (PubChem CID 42598478) has the molecular formula C23H20N4OS and a molecular weight of 400.51 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenyl)-3-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenyl)-3-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide
PubChem CID42598478
Molecular FormulaC23H20N4OS
Molecular Weight400.51 g/mol
Exact Mass400.14
IUPAC NameN-[4-(4-ethoxyphenyl)-3-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide
SMILES[H]/N=C(/N=c1\scc(-c2ccc(OCC)cc2)n1-c1ccccc1)c1ccccn1
InChIInChI=1S/C23H20N4OS/c1-2-28-19-13-11-17(12-14-19)21-16-29-23(27(21)18-8-4-3-5-9-18)26-22(24)20-10-6-7-15-25-20/h3-16,24H,2H2,1H3/b24-22+,26-23-
InChIKeyXDHQZZRXMFMYRD-NZYVXWGSSA-N
XLogP4.93
TPSA63.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[4-(4-ethoxyphenyl)-3-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide 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

methyl 4-[4-phenyl-2-(pyrazine-2-carboximidoylimino)-1,3-thiazol-3-yl]benzoate
CID 11258522
4-(4-chlorophenyl)-N,3-bis(4-ethoxyphenyl)-1,3-thiazol-2-imine
CID 18812994
N-[3-(2-nitrophenyl)-4-phenyl-1,3-thiazol-2-ylidene]pyrazine-2-carboximidamide
CID 11749998
(Z)-4-(4-methoxyphenyl)-3-(4-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-imine
CID 53350002
4-[3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide
CID 18813000
4-(4-ethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)-N-phenyl-1,3-thiazol-2-imine
CID 9179343
N-[(Z)-[3-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide
CID 11820761
ethyl 3-butyl-5-[[4-(4-methylphenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]imidazole-4-carboxylate
CID 4873586
N-[3-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-ylidene]benzamide;hydrobromide
CID 44789503
ethyl 5-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-3-(2-oxopropyl)imidazole-4-carboxylate
CID 4873595
N,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine
CID 3743621
N,3-bis(4-ethoxyphenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 18812995

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenyl)-3-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide?
The IUPAC name of N-[4-(4-ethoxyphenyl)-3-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide (CID 42598478) is N-[4-(4-ethoxyphenyl)-3-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide.
What is the SMILES notation for N-[4-(4-ethoxyphenyl)-3-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide?
The canonical SMILES for N-[4-(4-ethoxyphenyl)-3-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide is [H]/N=C(/N=c1\scc(-c2ccc(OCC)cc2)n1-c1ccccc1)c1ccccn1.
What is the InChIKey of N-[4-(4-ethoxyphenyl)-3-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide?
The InChIKey is XDHQZZRXMFMYRD-NZYVXWGSSA-N. The full InChI is InChI=1S/C23H20N4OS/c1-2-28-19-13-11-17(12-14-19)21-16-29-23(27(21)18-8-4-3-5-9-18)26-22(24)20-10-6-7-15-25-20/h3-16,24H,2H2,1H3/b24-22+,26-23-.
What are the key properties of N-[4-(4-ethoxyphenyl)-3-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide?
N-[4-(4-ethoxyphenyl)-3-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide has a molecular weight of 400.51 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenyl)-3-phenyl-1,3-thiazol-2-ylidene]pyridine-2-carboximidamide is sourced from PubChem (CID 42598478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).