2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carbohydrazide

C19H24N4O4S — CID 46417562

IUPAC2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carbohydrazide
SMILESCC(C)c1cccc(OCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1
InChIInChI=1S/C19H24N4O4S/c1-13(2)14-4-3-5-15(10-14)27-11-17(24)21-22-18(25)16-12-28-19(20-16)23-6-8-26-9-7-23/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyZEHPMSIONATURT-UHFFFAOYSA-N
MW404.49 g/mol
LogP1.94
Rot. Bonds6

About 2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carbohydrazide

2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carbohydrazide (PubChem CID 46417562) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carbohydrazide
PubChem CID46417562
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carbohydrazide
SMILESCC(C)c1cccc(OCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1
InChIInChI=1S/C19H24N4O4S/c1-13(2)14-4-3-5-15(10-14)27-11-17(24)21-22-18(25)16-12-28-19(20-16)23-6-8-26-9-7-23/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyZEHPMSIONATURT-UHFFFAOYSA-N
XLogP1.94
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.94
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

N'-[2-(3-fluorophenoxy)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 9344100
2-morpholin-4-yl-N'-(2-phenoxypropanoyl)-1,3-thiazole-4-carbohydrazide
CID 18120608
1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120592
N'-(2-ethoxypyridine-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120604
2-methyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 55346400
4-methyl-2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]-1,3-thiazole-5-carbohydrazide
CID 55821686
2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 18120603
N'-[3-(2,4-dimethylphenyl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 41452787
3,4-dimethyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24553651
4-tert-butyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 31718296
4-methyl-2-morpholin-4-yl-N'-(2-phenoxyacetyl)-1,3-thiazole-5-carbohydrazide
CID 26554798

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carbohydrazide (CID 46417562) is 2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carbohydrazide is CC(C)c1cccc(OCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1.
What is the InChIKey of 2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carbohydrazide?
The InChIKey is ZEHPMSIONATURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-13(2)14-4-3-5-15(10-14)27-11-17(24)21-22-18(25)16-12-28-19(20-16)23-6-8-26-9-7-23/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carbohydrazide?
2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carbohydrazide has a molecular weight of 404.49 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 46417562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).