N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide

C20H27N4O3S+ — CID 9029766

IUPACN-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(/C(C)=N\NC(=O)Cc2nc(C)cs2)cc1C[NH+]1CCOCC1
InChIInChI=1S/C20H26N4O3S/c1-14-13-28-20(21-14)11-19(25)23-22-15(2)16-4-5-18(26-3)17(10-16)12-24-6-8-27-9-7-24/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,23,25)/p+1/b22-15-
InChIKeyYFLBXGNPEHUHPJ-JCMHNJIXSA-O
MW403.53 g/mol
LogP0.96
Rot. Bonds7

About N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide

N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 9029766) has the molecular formula C20H27N4O3S+ and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID9029766
Molecular FormulaC20H27N4O3S+
Molecular Weight403.53 g/mol
Exact Mass403.18
IUPAC NameN-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(/C(C)=N\NC(=O)Cc2nc(C)cs2)cc1C[NH+]1CCOCC1
InChIInChI=1S/C20H26N4O3S/c1-14-13-28-20(21-14)11-19(25)23-22-15(2)16-4-5-18(26-3)17(10-16)12-24-6-8-27-9-7-24/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,23,25)/p+1/b22-15-
InChIKeyYFLBXGNPEHUHPJ-JCMHNJIXSA-O
XLogP0.96
TPSA77.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 50.96
H-Bond Donors ≤ 52
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)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]-2-(4-methyl-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

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 9029766) is N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide is COc1ccc(/C(C)=N\NC(=O)Cc2nc(C)cs2)cc1C[NH+]1CCOCC1.
What is the InChIKey of N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is YFLBXGNPEHUHPJ-JCMHNJIXSA-O. The full InChI is InChI=1S/C20H26N4O3S/c1-14-13-28-20(21-14)11-19(25)23-22-15(2)16-4-5-18(26-3)17(10-16)12-24-6-8-27-9-7-24/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,23,25)/p+1/b22-15-.
What are the key properties of N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 403.53 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 9029766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).