4-methyl-N'-[2-(3-methylphenoxy)propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide

C19H24N4O4S — CID 43004097

IUPAC4-methyl-N'-[2-(3-methylphenoxy)propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1
InChIInChI=1S/C19H24N4O4S/c1-12-5-4-6-15(11-12)27-14(3)17(24)21-22-18(25)16-13(2)20-19(28-16)23-7-9-26-10-8-23/h4-6,11,14H,7-10H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyVLPPOEUWYHOZNZ-UHFFFAOYSA-N
MW404.49 g/mol
LogP1.83
Rot. Bonds5

About 4-methyl-N'-[2-(3-methylphenoxy)propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide

4-methyl-N'-[2-(3-methylphenoxy)propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 43004097) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 4-methyl-N'-[2-(3-methylphenoxy)propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-N'-[2-(3-methylphenoxy)propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
PubChem CID43004097
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name4-methyl-N'-[2-(3-methylphenoxy)propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1
InChIInChI=1S/C19H24N4O4S/c1-12-5-4-6-15(11-12)27-14(3)17(24)21-22-18(25)16-13(2)20-19(28-16)23-7-9-26-10-8-23/h4-6,11,14H,7-10H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyVLPPOEUWYHOZNZ-UHFFFAOYSA-N
XLogP1.83
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]-1,3-thiazole-5-carbohydrazide
CID 55821686
4-methyl-2-morpholin-4-yl-N'-(2-phenoxyacetyl)-1,3-thiazole-5-carbohydrazide
CID 26554798
N'-[3-(3-methoxyphenyl)propanoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 24543209
4-methyl-N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25444482
4-methyl-2-morpholin-4-yl-N'-(2-phenylbutanoyl)-1,3-thiazole-5-carbohydrazide
CID 46532195
2-methyl-N-[4-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxopentan-2-yl]benzamide
CID 46798212
4-methyl-2-morpholin-4-yl-N'-(thiophene-3-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 25446747
ethyl N-[3-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxobutan-2-yl]carbamate
CID 55644563
4-methyl-N'-[2-(4-methylphenyl)acetyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 17446856
2-morpholin-4-yl-N'-(2-phenoxypropanoyl)-1,3-thiazole-4-carbohydrazide
CID 18120608
2-benzyl-4-methyl-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 39912237
N'-(3-chloro-4-methyl-1-benzothiophene-2-carbonyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 30689371

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[2-(3-methylphenoxy)propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-N'-[2-(3-methylphenoxy)propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (CID 43004097) is 4-methyl-N'-[2-(3-methylphenoxy)propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-N'-[2-(3-methylphenoxy)propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-N'-[2-(3-methylphenoxy)propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is Cc1cccc(OC(C)C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1.
What is the InChIKey of 4-methyl-N'-[2-(3-methylphenoxy)propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is VLPPOEUWYHOZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-12-5-4-6-15(11-12)27-14(3)17(24)21-22-18(25)16-13(2)20-19(28-16)23-7-9-26-10-8-23/h4-6,11,14H,7-10H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 4-methyl-N'-[2-(3-methylphenoxy)propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
4-methyl-N'-[2-(3-methylphenoxy)propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 404.49 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[2-(3-methylphenoxy)propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 43004097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).