N'-[2-(4-methylphenyl)quinoline-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

C25H23N5O3S — CID 25102520

IUPACN'-[2-(4-methylphenyl)quinoline-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESCc1ccc(-c2cc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)c3ccccc3n2)cc1
InChIInChI=1S/C25H23N5O3S/c1-16-6-8-17(9-7-16)21-14-19(18-4-2-3-5-20(18)26-21)23(31)28-29-24(32)22-15-34-25(27-22)30-10-12-33-13-11-30/h2-9,14-15H,10-13H2,1H3,(H,28,31)(H,29,32)
InChIKeyYRPRNWKNCBCGOL-UHFFFAOYSA-N
MW473.56 g/mol
LogP3.58
Rot. Bonds4

About N'-[2-(4-methylphenyl)quinoline-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

N'-[2-(4-methylphenyl)quinoline-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 25102520) has the molecular formula C25H23N5O3S and a molecular weight of 473.56 g/mol. Its IUPAC name is N'-[2-(4-methylphenyl)quinoline-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methylphenyl)quinoline-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
PubChem CID25102520
Molecular FormulaC25H23N5O3S
Molecular Weight473.56 g/mol
Exact Mass473.15
IUPAC NameN'-[2-(4-methylphenyl)quinoline-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESCc1ccc(-c2cc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)c3ccccc3n2)cc1
InChIInChI=1S/C25H23N5O3S/c1-16-6-8-17(9-7-16)21-14-19(18-4-2-3-5-20(18)26-21)23(31)28-29-24(32)22-15-34-25(27-22)30-10-12-33-13-11-30/h2-9,14-15H,10-13H2,1H3,(H,28,31)(H,29,32)
InChIKeyYRPRNWKNCBCGOL-UHFFFAOYSA-N
XLogP3.58
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[2-(4-methylphenyl)quinoline-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide 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'-[2-(4-methylphenyl)quinoline-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-[2-(4-methylphenyl)quinoline-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (CID 25102520) is N'-[2-(4-methylphenyl)quinoline-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-[2-(4-methylphenyl)quinoline-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-[2-(4-methylphenyl)quinoline-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is Cc1ccc(-c2cc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)c3ccccc3n2)cc1.
What is the InChIKey of N'-[2-(4-methylphenyl)quinoline-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is YRPRNWKNCBCGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3S/c1-16-6-8-17(9-7-16)21-14-19(18-4-2-3-5-20(18)26-21)23(31)28-29-24(32)22-15-34-25(27-22)30-10-12-33-13-11-30/h2-9,14-15H,10-13H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N'-[2-(4-methylphenyl)quinoline-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
N'-[2-(4-methylphenyl)quinoline-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 473.56 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methylphenyl)quinoline-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 25102520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).